tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride

C57H62Cl7N13O15S — CID 162164222

IUPACtert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)ccn1.COC(=O)c1cc(Cl)ccn1.COC(=O)c1nc2cc(N3CCOCC3)ccn2c(=O)c1O.Nc1cc(Cl)ccn1.Nc1cc(N2CCOCC2)ccn1.O=C(O)c1cc(Cl)cc[nH+]1.O=C(O)c1ccccn1.O=S(Cl)Cl.[Cl-]
InChIInChI=1S/C14H15N3O5.C10H13ClN2O2.C9H13N3O.C7H6ClNO2.C6H4ClNO2.C6H5NO2.C5H5ClN2.Cl2OS.ClH/c1-21-14(20)11-12(18)13(19)17-3-2-9(8-10(17)15-11)16-4-6-22-7-5-16;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;10-9-7-8(1-2-11-9)12-3-5-13-6-4-12;1-11-7(10)6-4-5(8)2-3-9-6;7-4-1-2-8-5(3-4)6(9)10;8-6(9)5-3-1-2-4-7-5;6-4-1-2-8-5(7)3-4;1-4(2)3;/h2-3,8,18H,4-7H2,1H3;4-6H,1-3H3,(H,12,13,14);1-2,7H,3-6H2,(H2,10,11);2-4H,1H3;1-3H,(H,9,10);1-4H,(H,8,9);1-3H,(H2,7,8);;1H
InChIKeyINYQKLVGWJHUNO-UHFFFAOYSA-N
MW1449.44 g/mol
LogP6.12
Rot. Bonds7

About tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride

tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride (PubChem CID 162164222) has the molecular formula C57H62Cl7N13O15S and a molecular weight of 1449.44 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride.

Molecular Properties

Compound Nametert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride
PubChem CID162164222
Molecular FormulaC57H62Cl7N13O15S
Molecular Weight1449.44 g/mol
Exact Mass1445.20
IUPAC Nametert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)ccn1.COC(=O)c1cc(Cl)ccn1.COC(=O)c1nc2cc(N3CCOCC3)ccn2c(=O)c1O.Nc1cc(Cl)ccn1.Nc1cc(N2CCOCC2)ccn1.O=C(O)c1cc(Cl)cc[nH+]1.O=C(O)c1ccccn1.O=S(Cl)Cl.[Cl-]
InChIInChI=1S/C14H15N3O5.C10H13ClN2O2.C9H13N3O.C7H6ClNO2.C6H4ClNO2.C6H5NO2.C5H5ClN2.Cl2OS.ClH/c1-21-14(20)11-12(18)13(19)17-3-2-9(8-10(17)15-11)16-4-6-22-7-5-16;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;10-9-7-8(1-2-11-9)12-3-5-13-6-4-12;1-11-7(10)6-4-5(8)2-3-9-6;7-4-1-2-8-5(3-4)6(9)10;8-6(9)5-3-1-2-4-7-5;6-4-1-2-8-5(7)3-4;1-4(2)3;/h2-3,8,18H,4-7H2,1H3;4-6H,1-3H3,(H,12,13,14);1-2,7H,3-6H2,(H2,10,11);2-4H,1H3;1-3H,(H,9,10);1-4H,(H,8,9);1-3H,(H2,7,8);;1H
InChIKeyINYQKLVGWJHUNO-UHFFFAOYSA-N
XLogP6.12
TPSA392.77 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.44
LogP ≤ 56.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methane;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;2,2,2-trifluoroacetaldehyde;chloride
CID 161905903
6-chloropyridine-2-carboxylic acid;6-chloro-N-pyridin-4-ylpyridine-2-carboxamide;6-(1,4-diazepan-1-yl)-N-pyridin-4-ylpyridine-2-carboxamide;6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide
CID 157438810
Tert-butyl 4-(2-amino-3-nitro-4-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(2,3-diamino-4-pyridinyl)piperazine-1-carboxylate;4-chloropyridin-2-amine;4-chloropyridine-2-carboxamide;methanol;methyl 4-chloropyridine-2-carboxylate;pyridine-2-carboxylic acid;thionyl dichloride
CID 162229038
tert-butyl N-[1-[(6-amino-4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[1-[[4-chloro-6-(pyridine-2-carbonylamino)-2-pyridinyl]amino]-1-oxopropan-2-yl]carbamate;pyridine-2-carboxylic acid
CID 162231395

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride?
The IUPAC name of tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride (CID 162164222) is tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride.
What is the SMILES notation for tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride?
The canonical SMILES for tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride is CC(C)(C)OC(=O)Nc1cc(Cl)ccn1.COC(=O)c1cc(Cl)ccn1.COC(=O)c1nc2cc(N3CCOCC3)ccn2c(=O)c1O.Nc1cc(Cl)ccn1.Nc1cc(N2CCOCC2)ccn1.O=C(O)c1cc(Cl)cc[nH+]1.O=C(O)c1ccccn1.O=S(Cl)Cl.[Cl-].
What is the InChIKey of tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride?
The InChIKey is INYQKLVGWJHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5.C10H13ClN2O2.C9H13N3O.C7H6ClNO2.C6H4ClNO2.C6H5NO2.C5H5ClN2.Cl2OS.ClH/c1-21-14(20)11-12(18)13(19)17-3-2-9(8-10(17)15-11)16-4-6-22-7-5-16;1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8;10-9-7-8(1-2-11-9)12-3-5-13-6-4-12;1-11-7(10)6-4-5(8)2-3-9-6;7-4-1-2-8-5(3-4)6(9)10;8-6(9)5-3-1-2-4-7-5;6-4-1-2-8-5(7)3-4;1-4(2)3;/h2-3,8,18H,4-7H2,1H3;4-6H,1-3H3,(H,12,13,14);1-2,7H,3-6H2,(H2,10,11);2-4H,1H3;1-3H,(H,9,10);1-4H,(H,8,9);1-3H,(H2,7,8);;1H.
What are the key properties of tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride?
tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride has a molecular weight of 1449.44 g/mol, XLogP of 6.12, 7 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chloro-2-pyridinyl)carbamate;4-chloropyridin-2-amine;4-chloropyridin-1-ium-2-carboxylic acid;methyl 4-chloropyridine-2-carboxylate;methyl 3-hydroxy-8-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate;4-morpholin-4-ylpyridin-2-amine;pyridine-2-carboxylic acid;thionyl dichloride;chloride is sourced from PubChem (CID 162164222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).