1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide

C17H21N3O2 — CID 118773094

IUPAC1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide
SMILESCCC(NC(=O)c1cn(C)c(C)cc1=O)c1ncccc1C
InChIInChI=1S/C17H21N3O2/c1-5-14(16-11(2)7-6-8-18-16)19-17(22)13-10-20(4)12(3)9-15(13)21/h6-10,14H,5H2,1-4H3,(H,19,22)
InChIKeyIMQZJYNTYCXOEB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.28
Rot. Bonds4

About 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide

1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide (PubChem CID 118773094) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide
PubChem CID118773094
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide
SMILESCCC(NC(=O)c1cn(C)c(C)cc1=O)c1ncccc1C
InChIInChI=1S/C17H21N3O2/c1-5-14(16-11(2)7-6-8-18-16)19-17(22)13-10-20(4)12(3)9-15(13)21/h6-10,14H,5H2,1-4H3,(H,19,22)
InChIKeyIMQZJYNTYCXOEB-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 126441957
N-[1-(3-methyl-2-pyridinyl)propyl]-4-pyrrolidin-1-ylbenzamide
CID 91761816
4-chloro-5-methyl-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]-1H-pyrazole-3-carboxamide
CID 125446765
2-ethyl-4-methyl-N-[1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
CID 122570843
2-ethyl-4-methyl-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
CID 125447047
3-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 118768572
(3R)-3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 126438851
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 91765215
2-[2-methoxyethyl(methyl)amino]-N-[(1R)-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 125443954
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 99932630
1,6-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-oxopyridine-3-carboxamide
CID 126449276
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide (CID 118773094) is 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide is CCC(NC(=O)c1cn(C)c(C)cc1=O)c1ncccc1C.
What is the InChIKey of 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide?
The InChIKey is IMQZJYNTYCXOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-5-14(16-11(2)7-6-8-18-16)19-17(22)13-10-20(4)12(3)9-15(13)21/h6-10,14H,5H2,1-4H3,(H,19,22).
What are the key properties of 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide?
1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[1-(3-methyl-2-pyridinyl)propyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 118773094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).