N-(4-phenylbutan-2-yl)pyridine-4-carboxamide

C16H18N2O — CID 3246771

IUPACN-(4-phenylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-13(7-8-14-5-3-2-4-6-14)18-16(19)15-9-11-17-12-10-15/h2-6,9-13H,7-8H2,1H3,(H,18,19)
InChIKeyCBPRKBMQWQZDBB-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.83
Rot. Bonds5

About N-(4-phenylbutan-2-yl)pyridine-4-carboxamide

N-(4-phenylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 3246771) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)pyridine-4-carboxamide
PubChem CID3246771
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(4-phenylbutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccncc1
InChIInChI=1S/C16H18N2O/c1-13(7-8-14-5-3-2-4-6-14)18-16(19)15-9-11-17-12-10-15/h2-6,9-13H,7-8H2,1H3,(H,18,19)
InChIKeyCBPRKBMQWQZDBB-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)pyridine-4-carboxamide (CID 3246771) is N-(4-phenylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)pyridine-4-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccncc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is CBPRKBMQWQZDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(7-8-14-5-3-2-4-6-14)18-16(19)15-9-11-17-12-10-15/h2-6,9-13H,7-8H2,1H3,(H,18,19).
What are the key properties of N-(4-phenylbutan-2-yl)pyridine-4-carboxamide?
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 3246771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).