methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate

C17H18ClN3O3 — CID 109165128

IUPACmethyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCCCNc1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccn1
InChIInChI=1S/C17H18ClN3O3/c1-3-7-19-15-10-11(6-8-20-15)16(22)21-14-9-12(17(23)24-2)4-5-13(14)18/h4-6,8-10H,3,7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyKRZXTHBANQCKFV-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.60
Rot. Bonds6

About methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate

methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109165128) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
PubChem CID109165128
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Namemethyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
SMILESCCCNc1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccn1
InChIInChI=1S/C17H18ClN3O3/c1-3-7-19-15-10-11(6-8-20-15)16(22)21-14-9-12(17(23)24-2)4-5-13(14)18/h4-6,8-10H,3,7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyKRZXTHBANQCKFV-UHFFFAOYSA-N
XLogP3.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62909985
methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165073
N-(2,4-dichlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62186931
methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109174778
methyl 4-chloro-3-[[4-(propylamino)pyrimidin-2-yl]amino]benzoate
CID 112881876
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 103094851
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-2-(propylamino)pyridine-4-carboxamide
CID 59761490
methyl 4-chloro-3-[[4-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109167103
methyl 3-[[5-(butylamino)pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109180960
N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 66254887
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 63670386

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate (CID 109165128) is methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate is CCCNc1cc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)ccn1.
What is the InChIKey of methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is KRZXTHBANQCKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-3-7-19-15-10-11(6-8-20-15)16(22)21-14-9-12(17(23)24-2)4-5-13(14)18/h4-6,8-10H,3,7H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate?
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109165128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).