3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid

C14H19ClN2O3 — CID 65492491

IUPAC3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1cccc(Cl)n1)CC(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-9(2)6-10(7-13(18)19)8-16-14(20)11-4-3-5-12(15)17-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFYNGWTNVOFPASH-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.60
Rot. Bonds7

About 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid

3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 65492491) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
PubChem CID65492491
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1cccc(Cl)n1)CC(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-9(2)6-10(7-13(18)19)8-16-14(20)11-4-3-5-12(15)17-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFYNGWTNVOFPASH-UHFFFAOYSA-N
XLogP2.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
3-[[(3-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65494736
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 55052492
6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65493090
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 66462020
N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
CID 107157522
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid (CID 65492491) is 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)c1cccc(Cl)n1)CC(=O)O.
What is the InChIKey of 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is FYNGWTNVOFPASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)6-10(7-13(18)19)8-16-14(20)11-4-3-5-12(15)17-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid?
3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 298.77 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65492491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).