2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine

C15H17ClN4 — CID 43782400

IUPAC2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine
SMILESClc1ncccc1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17ClN4/c16-15-13(4-3-9-18-15)19-12-6-10-20(11-7-12)14-5-1-2-8-17-14/h1-5,8-9,12,19H,6-7,10-11H2
InChIKeyALGUFXMCDHQOGD-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine

2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine (PubChem CID 43782400) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine
PubChem CID43782400
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine
SMILESClc1ncccc1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H17ClN4/c16-15-13(4-3-9-18-15)19-12-6-10-20(11-7-12)14-5-1-2-8-17-14/h1-5,8-9,12,19H,6-7,10-11H2
InChIKeyALGUFXMCDHQOGD-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839
2-chloro-N-(thian-4-yl)pyridin-3-amine
CID 43690107
N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43764057
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399
4-methoxy-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 75498023
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
N-(2,3-dimethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43765340
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine (CID 43782400) is 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine is Clc1ncccc1NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine?
The InChIKey is ALGUFXMCDHQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-15-13(4-3-9-18-15)19-12-6-10-20(11-7-12)14-5-1-2-8-17-14/h1-5,8-9,12,19H,6-7,10-11H2.
What are the key properties of 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine?
2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine has a molecular weight of 288.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-3-amine is sourced from PubChem (CID 43782400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).