2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide

C17H19ClN2O — CID 107864079

IUPAC2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](C)c2ccccc2)cc(Cl)n1
InChIInChI=1S/C17H19ClN2O/c1-3-7-15-10-14(11-16(18)20-15)17(21)19-12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyIFYYZPABZJPNSW-GFCCVEGCSA-N
MW302.81 g/mol
LogP4.18
Rot. Bonds5

About 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide

2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide (PubChem CID 107864079) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
PubChem CID107864079
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](C)c2ccccc2)cc(Cl)n1
InChIInChI=1S/C17H19ClN2O/c1-3-7-15-10-14(11-16(18)20-15)17(21)19-12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyIFYYZPABZJPNSW-GFCCVEGCSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-chloro-6-ethylpyridine-4-carboxamide
CID 107869123
2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106281903
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
2-chloro-6-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 107862756
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide (CID 107864079) is 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)N[C@H](C)c2ccccc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide?
The InChIKey is IFYYZPABZJPNSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-7-15-10-14(11-16(18)20-15)17(21)19-12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide?
2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 107864079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).