6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide

C19H25N3O3 — CID 111482284

IUPAC6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(N2CCCCCC2)nc1)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-19(24,16-7-6-12-25-16)14-21-18(23)15-8-9-17(20-13-15)22-10-4-2-3-5-11-22/h6-9,12-13,24H,2-5,10-11,14H2,1H3,(H,21,23)
InChIKeyGTOIIWARYQPFBM-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.69
Rot. Bonds5

About 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 111482284) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID111482284
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1ccc(N2CCCCCC2)nc1)c1ccco1
InChIInChI=1S/C19H25N3O3/c1-19(24,16-7-6-12-25-16)14-21-18(23)15-8-9-17(20-13-15)22-10-4-2-3-5-11-22/h6-9,12-13,24H,2-5,10-11,14H2,1H3,(H,21,23)
InChIKeyGTOIIWARYQPFBM-UHFFFAOYSA-N
XLogP2.69
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide 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-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111912291
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111672661
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-(furan-2-ylmethyl)-4-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 53149916
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide (CID 111482284) is 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide is CC(O)(CNC(=O)c1ccc(N2CCCCCC2)nc1)c1ccco1.
What is the InChIKey of 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is GTOIIWARYQPFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(24,16-7-6-12-25-16)14-21-18(23)15-8-9-17(20-13-15)22-10-4-2-3-5-11-22/h6-9,12-13,24H,2-5,10-11,14H2,1H3,(H,21,23).
What are the key properties of 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 111482284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).