aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride

C110H98Cl3N19O10 — CID 157116516

IUPACaniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride
SMILESCOc1ccccc1-c1nc2cccnc2n1-c1ccccc1.COc1ccccc1C(=O)Cl.COc1ccccc1C(=O)Nc1cccnc1Nc1ccccc1.Cc1ccc(C)cc1.Cl.Nc1ccccc1.Nc1cccnc1Nc1ccccc1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1Nc1ccccc1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.c1ccncc1
InChIInChI=1S/C19H17N3O2.C19H15N3O.C18H13N3O.C11H9N3O2.C11H11N3.C8H7ClO2.C8H10.C6H7N.C5H3ClN2O2.C5H5N.ClH/c1-24-17-12-6-5-10-15(17)19(23)22-16-11-7-13-20-18(16)21-14-8-3-2-4-9-14;1-23-17-12-6-5-10-15(17)18-21-16-11-7-13-20-19(16)22(18)14-8-3-2-4-9-14;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;15-14(16)10-7-4-8-12-11(10)13-9-5-2-1-3-6-9;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9;1-11-7-5-3-2-4-6(7)8(9)10;1-7-3-5-8(2)6-4-7;7-6-4-2-1-3-5-6;6-5-4(8(9)10)2-1-3-7-5;1-2-4-6-5-3-1;/h2-13H,1H3,(H,20,21)(H,22,23);2-13H,1H3;1-12,22H;1-8H,(H,12,13);1-8H,12H2,(H,13,14);2-5H,1H3;3-6H,1-2H3;1-5H,7H2;1-3H;1-5H;1H
InChIKeyADWSYUWELXJKAQ-UHFFFAOYSA-N
MW1952.48 g/mol
LogP25.91
Rot. Bonds18

About aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride

aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride (PubChem CID 157116516) has the molecular formula C110H98Cl3N19O10 and a molecular weight of 1952.48 g/mol. Its IUPAC name is aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride.

Molecular Properties

Compound Nameaniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride
PubChem CID157116516
Molecular FormulaC110H98Cl3N19O10
Molecular Weight1952.48 g/mol
Exact Mass1949.68
IUPAC Nameaniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride
SMILESCOc1ccccc1-c1nc2cccnc2n1-c1ccccc1.COc1ccccc1C(=O)Cl.COc1ccccc1C(=O)Nc1cccnc1Nc1ccccc1.Cc1ccc(C)cc1.Cl.Nc1ccccc1.Nc1cccnc1Nc1ccccc1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1Nc1ccccc1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.c1ccncc1
InChIInChI=1S/C19H17N3O2.C19H15N3O.C18H13N3O.C11H9N3O2.C11H11N3.C8H7ClO2.C8H10.C6H7N.C5H3ClN2O2.C5H5N.ClH/c1-24-17-12-6-5-10-15(17)19(23)22-16-11-7-13-20-18(16)21-14-8-3-2-4-9-14;1-23-17-12-6-5-10-15(17)18-21-16-11-7-13-20-19(16)22(18)14-8-3-2-4-9-14;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;15-14(16)10-7-4-8-12-11(10)13-9-5-2-1-3-6-9;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9;1-11-7-5-3-2-4-6(7)8(9)10;1-7-3-5-8(2)6-4-7;7-6-4-2-1-3-5-6;6-5-4(8(9)10)2-1-3-7-5;1-2-4-6-5-3-1;/h2-13H,1H3,(H,20,21)(H,22,23);2-13H,1H3;1-12,22H;1-8H,(H,12,13);1-8H,12H2,(H,13,14);2-5H,1H3;3-6H,1-2H3;1-5H,7H2;1-3H;1-5H;1H
InChIKeyADWSYUWELXJKAQ-UHFFFAOYSA-N
XLogP25.91
TPSA394.37 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001952.48
LogP ≤ 525.91
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride with MolForge

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Related Compounds

CID 59879728
CID 59879728
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151506
ethyl 4-[(3-amino-2-pyridinyl)amino]benzoate;ethyl 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 160687820
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 43988521
2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide
CID 64856454
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
N-[2-[4-(1-benzylpiperidin-4-yl)oxyanilino]-3-pyridinyl]pyridine-2-carboxamide;3-[4-(1-benzylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 159119121
2-methoxy-N'-[5-nitro-6-(pyridin-3-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22527990
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692

Frequently Asked Questions

What is the IUPAC name of aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride?
The IUPAC name of aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride (CID 157116516) is aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride.
What is the SMILES notation for aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride?
The canonical SMILES for aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride is COc1ccccc1-c1nc2cccnc2n1-c1ccccc1.COc1ccccc1C(=O)Cl.COc1ccccc1C(=O)Nc1cccnc1Nc1ccccc1.Cc1ccc(C)cc1.Cl.Nc1ccccc1.Nc1cccnc1Nc1ccccc1.O=[N+]([O-])c1cccnc1Cl.O=[N+]([O-])c1cccnc1Nc1ccccc1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.c1ccncc1.
What is the InChIKey of aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride?
The InChIKey is ADWSYUWELXJKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.C19H15N3O.C18H13N3O.C11H9N3O2.C11H11N3.C8H7ClO2.C8H10.C6H7N.C5H3ClN2O2.C5H5N.ClH/c1-24-17-12-6-5-10-15(17)19(23)22-16-11-7-13-20-18(16)21-14-8-3-2-4-9-14;1-23-17-12-6-5-10-15(17)18-21-16-11-7-13-20-19(16)22(18)14-8-3-2-4-9-14;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;15-14(16)10-7-4-8-12-11(10)13-9-5-2-1-3-6-9;12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9;1-11-7-5-3-2-4-6(7)8(9)10;1-7-3-5-8(2)6-4-7;7-6-4-2-1-3-5-6;6-5-4(8(9)10)2-1-3-7-5;1-2-4-6-5-3-1;/h2-13H,1H3,(H,20,21)(H,22,23);2-13H,1H3;1-12,22H;1-8H,(H,12,13);1-8H,12H2,(H,13,14);2-5H,1H3;3-6H,1-2H3;1-5H,7H2;1-3H;1-5H;1H.
What are the key properties of aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride?
aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride has a molecular weight of 1952.48 g/mol, XLogP of 25.91, 18 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;N-(2-anilino-3-pyridinyl)-2-methoxybenzamide;2-chloro-3-nitropyridine;2-methoxybenzoyl chloride;2-(2-methoxyphenyl)-3-phenylimidazo[4,5-b]pyridine;3-nitro-N-phenylpyridin-2-amine;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;2-N-phenylpyridine-2,3-diamine;pyridine;1,4-xylene;hydrochloride is sourced from PubChem (CID 157116516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).