7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid

C15H22N2O4 — CID 120523997

IUPAC7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid
SMILESCOc1nc(C)ccc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-8-9-12(15(17-11)21-2)14(20)16-10-6-4-3-5-7-13(18)19/h8-9H,3-7,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPYIZOIVUGITJJP-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.16
Rot. Bonds9

About 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid

7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid (PubChem CID 120523997) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid
PubChem CID120523997
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid
SMILESCOc1nc(C)ccc1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-8-9-12(15(17-11)21-2)14(20)16-10-6-4-3-5-7-13(18)19/h8-9H,3-7,10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyPYIZOIVUGITJJP-UHFFFAOYSA-N
XLogP2.16
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.16
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

4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 120534735
5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 114008693
7-[(3,6-difluoro-2-methoxybenzoyl)amino]heptanoic acid
CID 119350764
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
7-[(2,3,4-trifluorobenzoyl)amino]heptanoic acid
CID 79757091
7-[(5-fluoro-2-methylbenzoyl)amino]heptanoic acid
CID 62034426
8-[(3-methyl-1,2-thiazole-4-carbonyl)amino]octanoic acid
CID 120535597

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid (CID 120523997) is 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid is COc1nc(C)ccc1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid?
The InChIKey is PYIZOIVUGITJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-8-9-12(15(17-11)21-2)14(20)16-10-6-4-3-5-7-13(18)19/h8-9H,3-7,10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid?
7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 120523997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).