2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid

C13H19N3O3 — CID 65224219

IUPAC2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid
SMILESCCCC(CNc1ccnc(C(=O)NC)c1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-4-9(13(18)19)8-16-10-5-6-15-11(7-10)12(17)14-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyCNLKKVHCCLBXRC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.35
Rot. Bonds7

About 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid

2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid (PubChem CID 65224219) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid
PubChem CID65224219
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid
SMILESCCCC(CNc1ccnc(C(=O)NC)c1)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-3-4-9(13(18)19)8-16-10-5-6-15-11(7-10)12(17)14-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyCNLKKVHCCLBXRC-UHFFFAOYSA-N
XLogP1.35
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-(hex-1-yn-3-ylamino)-N-methylpyridine-2-carboxamide
CID 114161466
N-methyl-4-(2-piperidin-1-ylpropylamino)pyridine-2-carboxamide
CID 61017690
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid (CID 65224219) is 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid is CCCC(CNc1ccnc(C(=O)NC)c1)C(=O)O.
What is the InChIKey of 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid?
The InChIKey is CNLKKVHCCLBXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-4-9(13(18)19)8-16-10-5-6-15-11(7-10)12(17)14-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid?
2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65224219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).