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

C13H18N4O4 — CID 106917296

IUPAC3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H18N4O4/c1-8(11(18)14-2)7-17(3)13(21)16-9-5-4-6-15-10(9)12(19)20/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,21)(H,19,20)
InChIKeyPGKKQYLBRXQPJQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.63
Rot. Bonds5

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

3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 106917296) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID106917296
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H18N4O4/c1-8(11(18)14-2)7-17(3)13(21)16-9-5-4-6-15-10(9)12(19)20/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,21)(H,19,20)
InChIKeyPGKKQYLBRXQPJQ-UHFFFAOYSA-N
XLogP0.63
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylate
CID 119036850
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743458
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
(2R)-3-[(2,5-diethylphenyl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569823
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743381

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid (CID 106917296) is 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid is CNC(=O)C(C)CN(C)C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is PGKKQYLBRXQPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8(11(18)14-2)7-17(3)13(21)16-9-5-4-6-15-10(9)12(19)20/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,21)(H,19,20).
What are the key properties of 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106917296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).