[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid

C17H17N5O4 — CID 141144438

IUPAC[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
SMILESCOCCC(=O)Nc1cccc(-c2nc3ncc(NC(=O)O)cc3[nH]2)c1
InChIInChI=1S/C17H17N5O4/c1-26-6-5-14(23)19-11-4-2-3-10(7-11)15-21-13-8-12(20-17(24)25)9-18-16(13)22-15/h2-4,7-9,20H,5-6H2,1H3,(H,19,23)(H,24,25)(H,18,21,22)
InChIKeyMKNCOGDGRINMKE-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.69
Rot. Bonds6

About [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid

[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid (PubChem CID 141144438) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid.

Molecular Properties

Compound Name[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
PubChem CID141144438
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid
SMILESCOCCC(=O)Nc1cccc(-c2nc3ncc(NC(=O)O)cc3[nH]2)c1
InChIInChI=1S/C17H17N5O4/c1-26-6-5-14(23)19-11-4-2-3-10(7-11)15-21-13-8-12(20-17(24)25)9-18-16(13)22-15/h2-4,7-9,20H,5-6H2,1H3,(H,19,23)(H,24,25)(H,18,21,22)
InChIKeyMKNCOGDGRINMKE-UHFFFAOYSA-N
XLogP2.69
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
The IUPAC name of [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid (CID 141144438) is [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid.
What is the SMILES notation for [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
The canonical SMILES for [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid is COCCC(=O)Nc1cccc(-c2nc3ncc(NC(=O)O)cc3[nH]2)c1.
What is the InChIKey of [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
The InChIKey is MKNCOGDGRINMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-26-6-5-14(23)19-11-4-2-3-10(7-11)15-21-13-8-12(20-17(24)25)9-18-16(13)22-15/h2-4,7-9,20H,5-6H2,1H3,(H,19,23)(H,24,25)(H,18,21,22).
What are the key properties of [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid?
[2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid has a molecular weight of 355.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-methoxypropanoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]carbamic acid is sourced from PubChem (CID 141144438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).