6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid

C14H19ClN2O3 — CID 65283971

IUPAC6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1cc(Cl)ccn1)CCC(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-14(2,5-3-12(18)19)6-8-17-13(20)11-9-10(15)4-7-16-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUQIHAZAYCNBNMS-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.75
Rot. Bonds7

About 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65283971) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65283971
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1cc(Cl)ccn1)CCC(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-14(2,5-3-12(18)19)6-8-17-13(20)11-9-10(15)4-7-16-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUQIHAZAYCNBNMS-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 103899472
4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471
6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284499
4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
CID 115635951
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367
4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115604084
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65283971) is 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)c1cc(Cl)ccn1)CCC(=O)O.
What is the InChIKey of 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is UQIHAZAYCNBNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(2,5-3-12(18)19)6-8-17-13(20)11-9-10(15)4-7-16-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 298.77 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65283971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).