2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid

C13H17N3O4 — CID 63615578

IUPAC2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)CN(C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8(2)15-10(17)7-16(3)12(18)11-9(13(19)20)5-4-6-14-11/h4-6,8H,7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyVGTBPCZRODHVDR-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.38
Rot. Bonds5

About 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid

2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615578) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID63615578
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)NC(=O)CN(C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8(2)15-10(17)7-16(3)12(18)11-9(13(19)20)5-4-6-14-11/h4-6,8H,7H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyVGTBPCZRODHVDR-UHFFFAOYSA-N
XLogP0.38
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 103753987
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 107521925
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 55037894
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615584
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54861412
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid (CID 63615578) is 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid is CC(C)NC(=O)CN(C)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is VGTBPCZRODHVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8(2)15-10(17)7-16(3)12(18)11-9(13(19)20)5-4-6-14-11/h4-6,8H,7H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid?
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).