N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride

C17H21ClN2O — CID 110779584

IUPACN-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccc(CNC(=O)c2cccnc2)cc1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-17(2,3)15-8-6-13(7-9-15)11-19-16(20)14-5-4-10-18-12-14;/h4-10,12H,11H2,1-3H3,(H,19,20);1H
InChIKeyBFILJWBWDTXWBT-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.73
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride

N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 110779584) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID110779584
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ccc(CNC(=O)c2cccnc2)cc1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-17(2,3)15-8-6-13(7-9-15)11-19-16(20)14-5-4-10-18-12-14;/h4-10,12H,11H2,1-3H3,(H,19,20);1H
InChIKeyBFILJWBWDTXWBT-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
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N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
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4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
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N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
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4-tert-butylphenol;N-(2-sulfanylethyl)pyridine-3-carboxamide
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N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride (CID 110779584) is N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride is CC(C)(C)c1ccc(CNC(=O)c2cccnc2)cc1.Cl.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is BFILJWBWDTXWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c1-17(2,3)15-8-6-13(7-9-15)11-19-16(20)14-5-4-10-18-12-14;/h4-10,12H,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride?
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110779584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).