methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate

C19H21N3O3 — CID 109226206

IUPACmethyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(NC2CCCC2)c1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)16-8-4-5-9-17(16)22-18(23)13-10-15(12-20-11-13)21-14-6-2-3-7-14/h4-5,8-12,14,21H,2-3,6-7H2,1H3,(H,22,23)
InChIKeyNUHNKWGBFLMVOQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.47
Rot. Bonds5

About methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate

methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109226206) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109226206
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(NC2CCCC2)c1
InChIInChI=1S/C19H21N3O3/c1-25-19(24)16-8-4-5-9-17(16)22-18(23)13-10-15(12-20-11-13)21-14-6-2-3-7-14/h4-5,8-12,14,21H,2-3,6-7H2,1H3,(H,22,23)
InChIKeyNUHNKWGBFLMVOQ-UHFFFAOYSA-N
XLogP3.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223896
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
methyl 4-[[5-(cyclohexylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226950
5-(cyclohexylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109226974
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223106
N-(4-chloro-2,5-dimethoxyphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226984
5-(cyclohexylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109226939
5-(cycloheptylamino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109239634
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
N-(3-acetylphenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226944

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate (CID 109226206) is methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cncc(NC2CCCC2)c1.
What is the InChIKey of methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is NUHNKWGBFLMVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-19(24)16-8-4-5-9-17(16)22-18(23)13-10-15(12-20-11-13)21-14-6-2-3-7-14/h4-5,8-12,14,21H,2-3,6-7H2,1H3,(H,22,23).
What are the key properties of methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate?
methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 339.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109226206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).