6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide

C19H31N3O2 — CID 95228503

IUPAC6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC[C@@H]2CCN(CC(C)C)C2)c(=O)n1C
InChIInChI=1S/C19H31N3O2/c1-6-17-14(4)9-16(19(24)21(17)5)18(23)20-10-15-7-8-22(12-15)11-13(2)3/h9,13,15H,6-8,10-12H2,1-5H3,(H,20,23)/t15-/m0/s1
InChIKeyZRJWFFIWYKEATP-HNNXBMFYSA-N
MW333.48 g/mol
LogP1.96
Rot. Bonds6

About 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide

6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 95228503) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID95228503
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC[C@@H]2CCN(CC(C)C)C2)c(=O)n1C
InChIInChI=1S/C19H31N3O2/c1-6-17-14(4)9-16(19(24)21(17)5)18(23)20-10-15-7-8-22(12-15)11-13(2)3/h9,13,15H,6-8,10-12H2,1-5H3,(H,20,23)/t15-/m0/s1
InChIKeyZRJWFFIWYKEATP-HNNXBMFYSA-N
XLogP1.96
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide (CID 95228503) is 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide is CCc1c(C)cc(C(=O)NC[C@@H]2CCN(CC(C)C)C2)c(=O)n1C.
What is the InChIKey of 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZRJWFFIWYKEATP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-17-14(4)9-16(19(24)21(17)5)18(23)20-10-15-7-8-22(12-15)11-13(2)3/h9,13,15H,6-8,10-12H2,1-5H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 95228503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).