N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride

C17H22ClN3O2 — CID 129003740

IUPACN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
SMILESCl.O=C(c1ccoc1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C17H21N3O2.ClH/c21-17(14-7-11-22-13-14)20(12-15-4-1-2-9-19-15)16-5-3-8-18-10-6-16;/h1-2,4,7,9,11,13,16,18H,3,5-6,8,10,12H2;1H
InChIKeyMKJDJQSKLQFISE-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.88
Rot. Bonds4

About N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride

N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride (PubChem CID 129003740) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
PubChem CID129003740
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC NameN-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
SMILESCl.O=C(c1ccoc1)N(Cc1ccccn1)C1CCCNCC1
InChIInChI=1S/C17H21N3O2.ClH/c21-17(14-7-11-22-13-14)20(12-15-4-1-2-9-19-15)16-5-3-8-18-10-6-16;/h1-2,4,7,9,11,13,16,18H,3,5-6,8,10,12H2;1H
InChIKeyMKJDJQSKLQFISE-UHFFFAOYSA-N
XLogP2.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
CID 129005585
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 129008074
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129006545
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 126777867
N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
N-(azepan-4-yl)-1-tert-butyl-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 126790216
N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 120844902

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride?
The IUPAC name of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride (CID 129003740) is N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride is Cl.O=C(c1ccoc1)N(Cc1ccccn1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride?
The InChIKey is MKJDJQSKLQFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c21-17(14-7-11-22-13-14)20(12-15-4-1-2-9-19-15)16-5-3-8-18-10-6-16;/h1-2,4,7,9,11,13,16,18H,3,5-6,8,10,12H2;1H.
What are the key properties of N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride?
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 129003740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).