N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

C19H24N2O3 — CID 95789780

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-11-8-13(3)21-19(23)16(11)10-20-18(22)7-5-14-4-6-17(24-14)15-9-12(15)2/h4,6,8,12,15H,5,7,9-10H2,1-3H3,(H,20,22)(H,21,23)/t12-,15+/m1/s1
InChIKeyKOWOCHLEYJSHLD-DOMZBBRYSA-N
MW328.41 g/mol
LogP2.96
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (PubChem CID 95789780) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
PubChem CID95789780
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESCc1cc(C)c(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c(=O)[nH]1
InChIInChI=1S/C19H24N2O3/c1-11-8-13(3)21-19(23)16(11)10-20-18(22)7-5-14-4-6-17(24-14)15-9-12(15)2/h4,6,8,12,15H,5,7,9-10H2,1-3H3,(H,20,22)(H,21,23)/t12-,15+/m1/s1
InChIKeyKOWOCHLEYJSHLD-DOMZBBRYSA-N
XLogP2.96
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (CID 95789780) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is Cc1cc(C)c(CNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The InChIKey is KOWOCHLEYJSHLD-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11-8-13(3)21-19(23)16(11)10-20-18(22)7-5-14-4-6-17(24-14)15-9-12(15)2/h4,6,8,12,15H,5,7,9-10H2,1-3H3,(H,20,22)(H,21,23)/t12-,15+/m1/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide has a molecular weight of 328.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is sourced from PubChem (CID 95789780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).