N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C19H25N3O2 — CID 129398986

IUPACN-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)o1
InChIInChI=1S/C19H25N3O2/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/t17-/m1/s1
InChIKeyYETVVWVEBZWADS-QGZVFWFLSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds4

About N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide

N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 129398986) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID129398986
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)o1
InChIInChI=1S/C19H25N3O2/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/t17-/m1/s1
InChIKeyYETVVWVEBZWADS-QGZVFWFLSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)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-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
N-(azepan-4-yl)-4-cyano-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129003838
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-1,2,5-thiadiazole-3-carboxamide;hydrochloride
CID 129008074
N-[(4S)-azepan-4-yl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 129476433
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 126777867
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-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 129398986) is N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide is Cc1cc(C)c(C(=O)N(Cc2ccccn2)[C@@H]2CCCNCC2)o1.
What is the InChIKey of N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is YETVVWVEBZWADS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/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/t17-/m1/s1.
What are the key properties of N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 129398986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).