N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide

C15H22ClN3O — CID 133360864

IUPACN-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCCNc1ccnc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c16-14-11-13(6-7-18-14)17-8-9-19-15(20)10-12-4-2-1-3-5-12/h6-7,11-12H,1-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyCJJRJNNKFAYAIZ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide

N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide (PubChem CID 133360864) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide
PubChem CID133360864
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCCNc1ccnc(Cl)c1
InChIInChI=1S/C15H22ClN3O/c16-14-11-13(6-7-18-14)17-8-9-19-15(20)10-12-4-2-1-3-5-12/h6-7,11-12H,1-5,8-10H2,(H,17,18)(H,19,20)
InChIKeyCJJRJNNKFAYAIZ-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
CID 131008554
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
N-(cyclohexylmethyl)-4-(propylamino)pyridine-2-carboxamide
CID 62169677
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
CID 54788342
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide (CID 133360864) is N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)NCCNc1ccnc(Cl)c1.
What is the InChIKey of N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide?
The InChIKey is CJJRJNNKFAYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c16-14-11-13(6-7-18-14)17-8-9-19-15(20)10-12-4-2-1-3-5-12/h6-7,11-12H,1-5,8-10H2,(H,17,18)(H,19,20).
What are the key properties of N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide?
N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide has a molecular weight of 295.81 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-4-pyridinyl)amino]ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 133360864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).