2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide

C13H19N3O2 — CID 122448607

IUPAC2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESCC(=O)c1ncccc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C13H19N3O2/c1-9(8-16(3)4)15-13(18)11-6-5-7-14-12(11)10(2)17/h5-7,9H,8H2,1-4H3,(H,15,18)
InChIKeyLXKQKHHBOKOKNK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds5

About 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide

2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide (PubChem CID 122448607) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
PubChem CID122448607
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESCC(=O)c1ncccc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C13H19N3O2/c1-9(8-16(3)4)15-13(18)11-6-5-7-14-12(11)10(2)17/h5-7,9H,8H2,1-4H3,(H,15,18)
InChIKeyLXKQKHHBOKOKNK-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
CID 143839961
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide
CID 123528084
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide (CID 122448607) is 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide is CC(=O)c1ncccc1C(=O)NC(C)CN(C)C.
What is the InChIKey of 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is LXKQKHHBOKOKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(8-16(3)4)15-13(18)11-6-5-7-14-12(11)10(2)17/h5-7,9H,8H2,1-4H3,(H,15,18).
What are the key properties of 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide?
2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 122448607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).