1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide

C17H25N3O3 — CID 126427357

IUPAC1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)cn1C
InChIInChI=1S/C17H25N3O3/c1-11(2)17(23)20-7-5-6-13(9-20)18-16(22)14-10-19(4)12(3)8-15(14)21/h8,10-11,13H,5-7,9H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyADVVSLQVIWBJJI-CYBMUJFWSA-N
MW319.41 g/mol
LogP1.07
Rot. Bonds3

About 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide

1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide (PubChem CID 126427357) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide
PubChem CID126427357
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)cn1C
InChIInChI=1S/C17H25N3O3/c1-11(2)17(23)20-7-5-6-13(9-20)18-16(22)14-10-19(4)12(3)8-15(14)21/h8,10-11,13H,5-7,9H2,1-4H3,(H,18,22)/t13-/m1/s1
InChIKeyADVVSLQVIWBJJI-CYBMUJFWSA-N
XLogP1.07
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 131948637
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
N-[(1-acetylpiperidin-4-yl)methyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118775630
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
3-[(3R)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 125435416
2-methyl-N-[(3R)-1-[(2S)-3-methylsulfanyl-2-phenylpropanoyl]piperidin-3-yl]propanamide
CID 97216590
2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 131894675
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
(3R)-3-(dimethylsulfamoylamino)-1-(2-methylpropanoyl)piperidine
CID 125447905

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide (CID 126427357) is 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(C(=O)C(C)C)C2)cn1C.
What is the InChIKey of 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide?
The InChIKey is ADVVSLQVIWBJJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)17(23)20-7-5-6-13(9-20)18-16(22)14-10-19(4)12(3)8-15(14)21/h8,10-11,13H,5-7,9H2,1-4H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide?
1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 126427357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).