4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C17H21N3O2 — CID 109209338

IUPAC4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C17H21N3O2/c21-17(19-13-15-6-5-11-22-15)16-12-14(7-8-18-16)20-9-3-1-2-4-10-20/h5-8,11-12H,1-4,9-10,13H2,(H,19,21)
InChIKeyUKIUDKGVJUAHGA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.98
Rot. Bonds4

About 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide

4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109209338) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109209338
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc(N2CCCCCC2)ccn1
InChIInChI=1S/C17H21N3O2/c21-17(19-13-15-6-5-11-22-15)16-12-14(7-8-18-16)20-9-3-1-2-4-10-20/h5-8,11-12H,1-4,9-10,13H2,(H,19,21)
InChIKeyUKIUDKGVJUAHGA-UHFFFAOYSA-N
XLogP2.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209317
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209310
N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
CID 56869038
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-(furan-2-ylmethyl)-4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 95528034
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109169290
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801
4-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109085186
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109209427

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 109209338) is 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccco1)c1cc(N2CCCCCC2)ccn1.
What is the InChIKey of 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UKIUDKGVJUAHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(19-13-15-6-5-11-22-15)16-12-14(7-8-18-16)20-9-3-1-2-4-10-20/h5-8,11-12H,1-4,9-10,13H2,(H,19,21).
What are the key properties of 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109209338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).