5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide

C12H17ClN2O — CID 81405502

IUPAC5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
SMILESC[C@@H](NC(=O)CCCCCl)c1ccncc1
InChIInChI=1S/C12H17ClN2O/c1-10(11-5-8-14-9-6-11)15-12(16)4-2-3-7-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyNEBWYPUGTOTTKP-SNVBAGLBSA-N
MW240.73 g/mol
LogP2.67
Rot. Bonds6

About 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide

5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide (PubChem CID 81405502) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
PubChem CID81405502
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
SMILESC[C@@H](NC(=O)CCCCCl)c1ccncc1
InChIInChI=1S/C12H17ClN2O/c1-10(11-5-8-14-9-6-11)15-12(16)4-2-3-7-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyNEBWYPUGTOTTKP-SNVBAGLBSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
4-(4-acetylphenoxy)-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 34762946
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide (CID 81405502) is 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide is C[C@@H](NC(=O)CCCCCl)c1ccncc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
The InChIKey is NEBWYPUGTOTTKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-10(11-5-8-14-9-6-11)15-12(16)4-2-3-7-13/h5-6,8-10H,2-4,7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide?
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide has a molecular weight of 240.73 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide is sourced from PubChem (CID 81405502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).