2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine

C15H16ClN3O — CID 142656515

IUPAC2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine
SMILESClc1cc(Nc2ccccc2N2CCOCC2)ccn1
InChIInChI=1S/C15H16ClN3O/c16-15-11-12(5-6-17-15)18-13-3-1-2-4-14(13)19-7-9-20-10-8-19/h1-6,11H,7-10H2,(H,17,18)
InChIKeyKKNXAXFRDKXUJX-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine

2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine (PubChem CID 142656515) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine
PubChem CID142656515
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine
SMILESClc1cc(Nc2ccccc2N2CCOCC2)ccn1
InChIInChI=1S/C15H16ClN3O/c16-15-11-12(5-6-17-15)18-13-3-1-2-4-14(13)19-7-9-20-10-8-19/h1-6,11H,7-10H2,(H,17,18)
InChIKeyKKNXAXFRDKXUJX-UHFFFAOYSA-N
XLogP3.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.32
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

4-(2-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109219045
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109222411
4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904072
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
4-N-(2-morpholin-4-ylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112864782
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
4-(3-cyanoanilino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109222404
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133359820
6-N-(3-methylphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112864906
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine (CID 142656515) is 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine is Clc1cc(Nc2ccccc2N2CCOCC2)ccn1.
What is the InChIKey of 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine?
The InChIKey is KKNXAXFRDKXUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-15-11-12(5-6-17-15)18-13-3-1-2-4-14(13)19-7-9-20-10-8-19/h1-6,11H,7-10H2,(H,17,18).
What are the key properties of 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine?
2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine has a molecular weight of 289.77 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 142656515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).