N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide

C18H22N2O — CID 42563511

IUPACN-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-13(20-17(21)15-9-11-19-12-10-15)14-5-7-16(8-6-14)18(2,3)4/h5-13H,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyHYCFMVTWOUGQEM-ZDUSSCGKSA-N
MW282.39 g/mol
LogP3.87
Rot. Bonds3

About N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide

N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 42563511) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID42563511
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-13(20-17(21)15-9-11-19-12-10-15)14-5-7-16(8-6-14)18(2,3)4/h5-13H,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyHYCFMVTWOUGQEM-ZDUSSCGKSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[1-(6-bromo-3-pyridinyl)ethyl]pyridine-4-carboxamide
CID 140582807
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide (CID 42563511) is N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is HYCFMVTWOUGQEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(20-17(21)15-9-11-19-12-10-15)14-5-7-16(8-6-14)18(2,3)4/h5-13H,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide?
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 42563511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).