ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate

C17H17N5O3 — CID 176507137

IUPACethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1
InChIInChI=1S/C17H17N5O3/c1-3-25-17(24)21-13-6-4-5-12(8-13)20-16(23)11-7-14-15(18-9-11)22(2)10-19-14/h4-10H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQWKUANFNTCLKFA-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.79
Rot. Bonds4

About ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate

ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate (PubChem CID 176507137) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate
PubChem CID176507137
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Nameethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1
InChIInChI=1S/C17H17N5O3/c1-3-25-17(24)21-13-6-4-5-12(8-13)20-16(23)11-7-14-15(18-9-11)22(2)10-19-14/h4-10H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQWKUANFNTCLKFA-UHFFFAOYSA-N
XLogP2.79
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate 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

3-methyl-N-[3-(methylsulfanylmethyl)phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 75473310
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
N-(3-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75509490
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75450999
3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501446

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate (CID 176507137) is ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate is CCOC(=O)Nc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1.
What is the InChIKey of ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate?
The InChIKey is QWKUANFNTCLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-3-25-17(24)21-13-6-4-5-12(8-13)20-16(23)11-7-14-15(18-9-11)22(2)10-19-14/h4-10H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate?
ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate has a molecular weight of 339.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(3-methylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 176507137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).