3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid

C14H19ClN2O3 — CID 66462020

IUPAC3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccncc1Cl)CC(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-9(2)5-10(6-13(18)19)7-17-14(20)11-3-4-16-8-12(11)15/h3-4,8-10H,5-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVTTORMXKDVJSPN-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.60
Rot. Bonds7

About 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid

3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 66462020) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
PubChem CID66462020
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccncc1Cl)CC(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-9(2)5-10(6-13(18)19)7-17-14(20)11-3-4-16-8-12(11)15/h3-4,8-10H,5-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVTTORMXKDVJSPN-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

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Related Compounds

3-[[(3-chloropyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81066288
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460
3-chloro-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 71968994
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
3-chloro-N-(2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 115759484
3-chloro-N-(2-ethylhexyl)pyridine-4-carboxamide
CID 66482967
3-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492259
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65493090
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492048
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid (CID 66462020) is 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)c1ccncc1Cl)CC(=O)O.
What is the InChIKey of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is VTTORMXKDVJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(2)5-10(6-13(18)19)7-17-14(20)11-3-4-16-8-12(11)15/h3-4,8-10H,5-7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid?
3-[[(3-chloropyridine-4-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-[[(3-chloropyridine-4-carbonyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 66462020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).