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

C17H19N3O3 — CID 109223106

IUPACmethyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCCNc1cncc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C17H19N3O3/c1-3-8-19-13-9-12(10-18-11-13)16(21)20-15-7-5-4-6-14(15)17(22)23-2/h4-7,9-11,19H,3,8H2,1-2H3,(H,20,21)
InChIKeyIZQUKDZAGHELFY-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.94
Rot. Bonds6

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

methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109223106) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109223106
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCCNc1cncc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C17H19N3O3/c1-3-8-19-13-9-12(10-18-11-13)16(21)20-15-7-5-4-6-14(15)17(22)23-2/h4-7,9-11,19H,3,8H2,1-2H3,(H,20,21)
InChIKeyIZQUKDZAGHELFY-UHFFFAOYSA-N
XLogP2.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236389
methyl 2-[[5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109236565
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223896
methyl 2-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240079
methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226206
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
methyl 2-[[5-(3-chloro-4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244895
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate (CID 109223106) is methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate is CCCNc1cncc(C(=O)Nc2ccccc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is IZQUKDZAGHELFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-8-19-13-9-12(10-18-11-13)16(21)20-15-7-5-4-6-14(15)17(22)23-2/h4-7,9-11,19H,3,8H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate?
methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 313.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(propylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109223106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).