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

C13H18N4O4 — CID 106917226

IUPAC5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N4O4/c1-8(11(18)14-2)7-17(3)13(21)16-10-4-9(12(19)20)5-15-6-10/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,21)(H,19,20)
InChIKeyMFIZCVIZCQHBEC-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.63
Rot. Bonds5

About 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid

5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 106917226) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID106917226
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N4O4/c1-8(11(18)14-2)7-17(3)13(21)16-10-4-9(12(19)20)5-15-6-10/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,21)(H,19,20)
InChIKeyMFIZCVIZCQHBEC-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

5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid (CID 106917226) is 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid is CNC(=O)C(C)CN(C)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is MFIZCVIZCQHBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8(11(18)14-2)7-17(3)13(21)16-10-4-9(12(19)20)5-15-6-10/h4-6,8H,7H2,1-3H3,(H,14,18)(H,16,21)(H,19,20).
What are the key properties of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-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 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106917226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).