5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid

C15H21ClN2O2 — CID 114919701

IUPAC5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
SMILESCC(C)C1CCCN(c2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(2)11-4-3-6-18(7-5-11)14-8-12(15(19)20)13(16)9-17-14/h8-11H,3-7H2,1-2H3,(H,19,20)
InChIKeyFGWSQJOAICRIDX-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.70
Rot. Bonds3

About 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid

5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid (PubChem CID 114919701) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
PubChem CID114919701
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid
SMILESCC(C)C1CCCN(c2cc(C(=O)O)c(Cl)cn2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-10(2)11-4-3-6-18(7-5-11)14-8-12(15(19)20)13(16)9-17-14/h8-11H,3-7H2,1-2H3,(H,19,20)
InChIKeyFGWSQJOAICRIDX-UHFFFAOYSA-N
XLogP3.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-4-carboxylic acid
CID 114919432
5-chloro-2-[4-(methylcarbamoyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114919341
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
CID 114919777
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloropyridine-4-carboxylic acid
CID 114919262
2-(3-aminopyrrolidin-1-yl)-5-chloropyridine-4-carboxylic acid
CID 114919529
6-methyl-4-(4-propan-2-ylazepan-1-yl)pyridine-3-carboxylic acid
CID 81243834
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689
5-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 102889234
5-methyl-2-(4-propan-2-ylazepan-1-yl)pyridin-4-amine
CID 83266554
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid (CID 114919701) is 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid is CC(C)C1CCCN(c2cc(C(=O)O)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid?
The InChIKey is FGWSQJOAICRIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(2)11-4-3-6-18(7-5-11)14-8-12(15(19)20)13(16)9-17-14/h8-11H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid?
5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid has a molecular weight of 296.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-propan-2-ylazepan-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).