N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride

C19H26ClN3O2 — CID 129005585

IUPACN-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)N(Cc2ccccn2)C2CCCNCC2)o1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-14-12-15(2)24-18(14)19(23)22(13-16-6-3-4-10-21-16)17-7-5-9-20-11-8-17;/h3-4,6,10,12,17,20H,5,7-9,11,13H2,1-2H3;1H
InChIKeySKBDQYOMAYFZLZ-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.50
Rot. Bonds4

About N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride

N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride (PubChem CID 129005585) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
PubChem CID129005585
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)N(Cc2ccccn2)C2CCCNCC2)o1.Cl
InChIInChI=1S/C19H25N3O2.ClH/c1-14-12-15(2)24-18(14)19(23)22(13-16-6-3-4-10-21-16)17-7-5-9-20-11-8-17;/h3-4,6,10,12,17,20H,5,7-9,11,13H2,1-2H3;1H
InChIKeySKBDQYOMAYFZLZ-UHFFFAOYSA-N
XLogP3.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)furan-3-carboxamide;hydrochloride
CID 129003740
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129006545
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 129008074
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]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
3,5-dimethyl-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823817
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129008069

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride (CID 129005585) is N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride is Cc1cc(C)c(C(=O)N(Cc2ccccn2)C2CCCNCC2)o1.Cl.
What is the InChIKey of N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is SKBDQYOMAYFZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-14-12-15(2)24-18(14)19(23)22(13-16-6-3-4-10-21-16)17-7-5-9-20-11-8-17;/h3-4,6,10,12,17,20H,5,7-9,11,13H2,1-2H3;1H.
What are the key properties of N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride?
N-(azepan-4-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.50, 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)-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 129005585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).