5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid

C14H14N4O3 — CID 63157620

IUPAC5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(Cc1cccnc1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H14N4O3/c1-18(9-10-3-2-4-15-6-10)14(21)17-12-5-11(13(19)20)7-16-8-12/h2-8H,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyGLJHCFNTCQTGKQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.84
Rot. Bonds4

About 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63157620) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63157620
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(Cc1cccnc1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H14N4O3/c1-18(9-10-3-2-4-15-6-10)14(21)17-12-5-11(13(19)20)7-16-8-12/h2-8H,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyGLJHCFNTCQTGKQ-UHFFFAOYSA-N
XLogP1.84
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
CID 43563856

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 63157620) is 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid is CN(Cc1cccnc1)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GLJHCFNTCQTGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-18(9-10-3-2-4-15-6-10)14(21)17-12-5-11(13(19)20)7-16-8-12/h2-8H,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).