6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide

C16H25N3O2 — CID 56720822

IUPAC6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCN(CC(C)C)C2)c[nH]1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-19-5-4-13(10-19)7-18-16(21)14-8-17-12(3)6-15(14)20/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOXAOYBMWCRGANB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.39
Rot. Bonds5

About 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 56720822) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID56720822
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCN(CC(C)C)C2)c[nH]1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-19-5-4-13(10-19)7-18-16(21)14-8-17-12(3)6-15(14)20/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyOXAOYBMWCRGANB-UHFFFAOYSA-N
XLogP1.39
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
CID 95228503
2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
CID 95199115
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 106133084
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56705447
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 95193246
N-(1-ethylpiperidin-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717406
2-ethyl-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 56722115
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 56720822) is 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCN(CC(C)C)C2)c[nH]1.
What is the InChIKey of 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OXAOYBMWCRGANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)9-19-5-4-13(10-19)7-18-16(21)14-8-17-12(3)6-15(14)20/h6,8,11,13H,4-5,7,9-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56720822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).