2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride

C95H107Cl3N22O21S2 — CID 157329446

IUPAC2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride
SMILESCOc1cc(N)c(C(N)=O)cc1OC.COc1cc(NC(=O)c2cccnc2)c(C(N)=O)cc1OC.COc1cc2nc(-c3cccnc3)[nH]c(=O)c2cc1OC.COc1cc2nc(-c3cccnc3)nc(Cl)c2cc1OC.COc1cc2nc(-c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.Cl.NS(=O)(=O)NCCC1CCNCC1.O=C(Cl)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C22H28N6O4S.C15H12ClN3O2.C15H15N3O4.C15H13N3O3.C9H12N2O3.C7H17N3O2S.C6H4ClNO.C6H5NO2.ClH/c1-31-19-12-17-18(13-20(19)32-2)26-21(16-4-3-8-24-14-16)27-22(17)28-10-6-15(7-11-28)5-9-25-33(23,29)30;1-20-12-6-10-11(7-13(12)21-2)18-15(19-14(10)16)9-4-3-5-17-8-9;1-21-12-6-10(14(16)19)11(7-13(12)22-2)18-15(20)9-4-3-5-17-8-9;1-20-12-6-10-11(7-13(12)21-2)17-14(18-15(10)19)9-4-3-5-16-8-9;1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;8-13(11,12)10-6-3-7-1-4-9-5-2-7;7-6(9)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5;/h3-4,8,12-15,25H,5-7,9-11H2,1-2H3,(H2,23,29,30);3-8H,1-2H3;3-8H,1-2H3,(H2,16,19)(H,18,20);3-8H,1-2H3,(H,17,18,19);3-4H,10H2,1-2H3,(H2,11,12);7,9-10H,1-6H2,(H2,8,11,12);1-4H;1-4H,(H,8,9);1H
InChIKeyDBNWWSWHCMFIDB-UHFFFAOYSA-N
MW2063.53 g/mol
LogP11.14
Rot. Bonds28

About 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride

2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride (PubChem CID 157329446) has the molecular formula C95H107Cl3N22O21S2 and a molecular weight of 2063.53 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride
PubChem CID157329446
Molecular FormulaC95H107Cl3N22O21S2
Molecular Weight2063.53 g/mol
Exact Mass2060.65
IUPAC Name2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride
SMILESCOc1cc(N)c(C(N)=O)cc1OC.COc1cc(NC(=O)c2cccnc2)c(C(N)=O)cc1OC.COc1cc2nc(-c3cccnc3)[nH]c(=O)c2cc1OC.COc1cc2nc(-c3cccnc3)nc(Cl)c2cc1OC.COc1cc2nc(-c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.Cl.NS(=O)(=O)NCCC1CCNCC1.O=C(Cl)c1cccnc1.O=C(O)c1cccnc1
InChIInChI=1S/C22H28N6O4S.C15H12ClN3O2.C15H15N3O4.C15H13N3O3.C9H12N2O3.C7H17N3O2S.C6H4ClNO.C6H5NO2.ClH/c1-31-19-12-17-18(13-20(19)32-2)26-21(16-4-3-8-24-14-16)27-22(17)28-10-6-15(7-11-28)5-9-25-33(23,29)30;1-20-12-6-10-11(7-13(12)21-2)18-15(19-14(10)16)9-4-3-5-17-8-9;1-21-12-6-10(14(16)19)11(7-13(12)22-2)18-15(20)9-4-3-5-17-8-9;1-20-12-6-10-11(7-13(12)21-2)17-14(18-15(10)19)9-4-3-5-16-8-9;1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;8-13(11,12)10-6-3-7-1-4-9-5-2-7;7-6(9)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5;/h3-4,8,12-15,25H,5-7,9-11H2,1-2H3,(H2,23,29,30);3-8H,1-2H3;3-8H,1-2H3,(H2,16,19)(H,18,20);3-8H,1-2H3,(H,17,18,19);3-4H,10H2,1-2H3,(H2,11,12);7,9-10H,1-6H2,(H2,8,11,12);1-4H;1-4H,(H,8,9);1H
InChIKeyDBNWWSWHCMFIDB-UHFFFAOYSA-N
XLogP11.14
TPSA622.27 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002063.53
LogP ≤ 511.14
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride (CID 157329446) is 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride is COc1cc(N)c(C(N)=O)cc1OC.COc1cc(NC(=O)c2cccnc2)c(C(N)=O)cc1OC.COc1cc2nc(-c3cccnc3)[nH]c(=O)c2cc1OC.COc1cc2nc(-c3cccnc3)nc(Cl)c2cc1OC.COc1cc2nc(-c3cccnc3)nc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.Cl.NS(=O)(=O)NCCC1CCNCC1.O=C(Cl)c1cccnc1.O=C(O)c1cccnc1.
What is the InChIKey of 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride?
The InChIKey is DBNWWSWHCMFIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S.C15H12ClN3O2.C15H15N3O4.C15H13N3O3.C9H12N2O3.C7H17N3O2S.C6H4ClNO.C6H5NO2.ClH/c1-31-19-12-17-18(13-20(19)32-2)26-21(16-4-3-8-24-14-16)27-22(17)28-10-6-15(7-11-28)5-9-25-33(23,29)30;1-20-12-6-10-11(7-13(12)21-2)18-15(19-14(10)16)9-4-3-5-17-8-9;1-21-12-6-10(14(16)19)11(7-13(12)22-2)18-15(20)9-4-3-5-17-8-9;1-20-12-6-10-11(7-13(12)21-2)17-14(18-15(10)19)9-4-3-5-16-8-9;1-13-7-3-5(9(11)12)6(10)4-8(7)14-2;8-13(11,12)10-6-3-7-1-4-9-5-2-7;7-6(9)5-2-1-3-8-4-5;8-6(9)5-2-1-3-7-4-5;/h3-4,8,12-15,25H,5-7,9-11H2,1-2H3,(H2,23,29,30);3-8H,1-2H3;3-8H,1-2H3,(H2,16,19)(H,18,20);3-8H,1-2H3,(H,17,18,19);3-4H,10H2,1-2H3,(H2,11,12);7,9-10H,1-6H2,(H2,8,11,12);1-4H;1-4H,(H,8,9);1H.
What are the key properties of 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride?
2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride has a molecular weight of 2063.53 g/mol, XLogP of 11.14, 28 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxybenzamide;N-(2-carbamoyl-4,5-dimethoxyphenyl)pyridine-3-carboxamide;4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline;6,7-dimethoxy-2-pyridin-3-yl-3H-quinazolin-4-one;6,7-dimethoxy-2-pyridin-3-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline;pyridine-3-carbonyl chloride;pyridine-3-carboxylic acid;4-[2-(sulfamoylamino)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 157329446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).