N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide

C17H20N2O — CID 110780451

IUPACN-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCCC(C)c1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13(2)15-8-6-14(7-9-15)11-19-17(20)16-5-4-10-18-12-16/h4-10,12-13H,3,11H2,1-2H3,(H,19,20)
InChIKeyFLGZNBGYSCLKBS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.53
Rot. Bonds5

About N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide

N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 110780451) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID110780451
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCCC(C)c1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O/c1-3-13(2)15-8-6-14(7-9-15)11-19-17(20)16-5-4-10-18-12-16/h4-10,12-13H,3,11H2,1-2H3,(H,19,20)
InChIKeyFLGZNBGYSCLKBS-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
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CID 108766189
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
N-[[4-(pentanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108925618
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 32688575
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide (CID 110780451) is N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide is CCC(C)c1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FLGZNBGYSCLKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-13(2)15-8-6-14(7-9-15)11-19-17(20)16-5-4-10-18-12-16/h4-10,12-13H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide?
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110780451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).