2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid

C14H17N3O3 — CID 65218862

IUPAC2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(C#N)c(C)n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-3-4-11(14(19)20)8-16-13(18)12-6-5-10(7-15)9(2)17-12/h5-6,11H,3-4,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYCLVAQRWWUXCRX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.49
Rot. Bonds6

About 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid

2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65218862) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID65218862
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc(C#N)c(C)n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-3-4-11(14(19)20)8-16-13(18)12-6-5-10(7-15)9(2)17-12/h5-6,11H,3-4,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYCLVAQRWWUXCRX-UHFFFAOYSA-N
XLogP1.49
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide
CID 96535435
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 114036847
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
2-[[(5-bromo-2-cyanophenyl)carbamoylamino]methyl]pentanoic acid
CID 107799809
2-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]pentanoic acid
CID 65224625
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid (CID 65218862) is 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1ccc(C#N)c(C)n1)C(=O)O.
What is the InChIKey of 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is YCLVAQRWWUXCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-4-11(14(19)20)8-16-13(18)12-6-5-10(7-15)9(2)17-12/h5-6,11H,3-4,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid?
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65218862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).