N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

C17H17N3O3 — CID 57483025

IUPACN-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESO=C(NCC(O)CO)c1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C17H17N3O3/c21-10-13(22)9-20-17(23)12-3-1-2-11(8-12)14-4-6-18-16-15(14)5-7-19-16/h1-8,13,21-22H,9-10H2,(H,18,19)(H,20,23)
InChIKeySIICNEXCOAPBHO-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.31
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (PubChem CID 57483025) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
PubChem CID57483025
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
SMILESO=C(NCC(O)CO)c1cccc(-c2ccnc3[nH]ccc23)c1
InChIInChI=1S/C17H17N3O3/c21-10-13(22)9-20-17(23)12-3-1-2-11(8-12)14-4-6-18-16-15(14)5-7-19-16/h1-8,13,21-22H,9-10H2,(H,18,19)(H,20,23)
InChIKeySIICNEXCOAPBHO-UHFFFAOYSA-N
XLogP1.31
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide 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

N-[3-(dimethylamino)propyl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57483005
molecular hydrogen;3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 160642288
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 69192349
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
N-ethyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 56893507
3-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-[(2R)-2,3-dihydroxypropyl]benzamide
CID 126449084
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide (CID 57483025) is N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is O=C(NCC(O)CO)c1cccc(-c2ccnc3[nH]ccc23)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
The InChIKey is SIICNEXCOAPBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-10-13(22)9-20-17(23)12-3-1-2-11(8-12)14-4-6-18-16-15(14)5-7-19-16/h1-8,13,21-22H,9-10H2,(H,18,19)(H,20,23).
What are the key properties of N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide?
N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 57483025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).