4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide

C17H19ClN2O — CID 60793876

IUPAC4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C17H19ClN2O/c1-20(17(21)16-13-15(18)10-11-19-16)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKeyOMGCMZFZFQISRF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.83
Rot. Bonds6

About 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide

4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide (PubChem CID 60793876) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
PubChem CID60793876
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C17H19ClN2O/c1-20(17(21)16-13-15(18)10-11-19-16)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKeyOMGCMZFZFQISRF-UHFFFAOYSA-N
XLogP3.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
3-phenylpropyl 4-chloropyridine-2-carboxylate
CID 60656407
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 86920890
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 79004039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide (CID 60793876) is 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide is CN(CCCCc1ccccc1)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide?
The InChIKey is OMGCMZFZFQISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(17(21)16-13-15(18)10-11-19-16)12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide?
4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(4-phenylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 60793876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).