6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid

C13H17N3O4 — CID 103790374

IUPAC6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-8(11(17)14-2)7-16(3)12(18)9-5-4-6-10(15-9)13(19)20/h4-6,8H,7H2,1-3H3,(H,14,17)(H,19,20)
InChIKeyYSIOKOQECHMBJZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.23
Rot. Bonds5

About 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid

6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 103790374) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID103790374
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-8(11(17)14-2)7-16(3)12(18)9-5-4-6-10(15-9)13(19)20/h4-6,8H,7H2,1-3H3,(H,14,17)(H,19,20)
InChIKeyYSIOKOQECHMBJZ-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]furan-2-carboxylic acid
CID 103932710
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 103722252
6-[bis(3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179216
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842
3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
3-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-nitrobenzamide
CID 103737148

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid (CID 103790374) is 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid is CNC(=O)C(C)CN(C)C(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is YSIOKOQECHMBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8(11(17)14-2)7-16(3)12(18)9-5-4-6-10(15-9)13(19)20/h4-6,8H,7H2,1-3H3,(H,14,17)(H,19,20).
What are the key properties of 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid?
6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103790374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).