6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid

C13H17N3O4 — CID 61466256

IUPAC6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NC(C)C(=O)N(C)C)ccc1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-7-9(13(19)20)5-6-10(14-7)11(17)15-8(2)12(18)16(3)4/h5-6,8H,1-4H3,(H,15,17)(H,19,20)
InChIKeyCPVIWDJKHXAAIO-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.29
Rot. Bonds4

About 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 61466256) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID61466256
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NC(C)C(=O)N(C)C)ccc1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-7-9(13(19)20)5-6-10(14-7)11(17)15-8(2)12(18)16(3)4/h5-6,8H,1-4H3,(H,15,17)(H,19,20)
InChIKeyCPVIWDJKHXAAIO-UHFFFAOYSA-N
XLogP0.29
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 61030950
2-methyl-6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43570535
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43452983
6-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62338580
6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid
CID 63996569
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62850825
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
CID 112733461
2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 66353771
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 61466256) is 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)NC(C)C(=O)N(C)C)ccc1C(=O)O.
What is the InChIKey of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is CPVIWDJKHXAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-7-9(13(19)20)5-6-10(14-7)11(17)15-8(2)12(18)16(3)4/h5-6,8H,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 61466256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).