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

C14H17N3O3 — CID 43352877

IUPAC6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
SMILESCc1nc(C(=O)NCCCCCC(=O)O)ccc1C#N
InChIInChI=1S/C14H17N3O3/c1-10-11(9-15)6-7-12(17-10)14(20)16-8-4-2-3-5-13(18)19/h6-7H,2-5,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCHMJKYFYLNOWTR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.64
Rot. Bonds7

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

6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid (PubChem CID 43352877) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
PubChem CID43352877
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
SMILESCc1nc(C(=O)NCCCCCC(=O)O)ccc1C#N
InChIInChI=1S/C14H17N3O3/c1-10-11(9-15)6-7-12(17-10)14(20)16-8-4-2-3-5-13(18)19/h6-7H,2-5,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyCHMJKYFYLNOWTR-UHFFFAOYSA-N
XLogP1.64
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
7-[(2-methyl-1,3-thiazole-4-carbonyl)amino]heptanoic acid
CID 65199802
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199563
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid (CID 43352877) is 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid is Cc1nc(C(=O)NCCCCCC(=O)O)ccc1C#N.
What is the InChIKey of 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid?
The InChIKey is CHMJKYFYLNOWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-11(9-15)6-7-12(17-10)14(20)16-8-4-2-3-5-13(18)19/h6-7H,2-5,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid?
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).