4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide

C17H20N2O — CID 17330741

IUPAC4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(C)c1ccc(C(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)14-4-6-16(7-5-14)17(20)19-13(3)15-8-10-18-11-9-15/h4-13H,1-3H3,(H,19,20)
InChIKeyJZFBNZTWSBHDQN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.70
Rot. Bonds4

About 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide

4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 17330741) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID17330741
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(C)c1ccc(C(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C17H20N2O/c1-12(2)14-4-6-16(7-5-14)17(20)19-13(3)15-8-10-18-11-9-15/h4-13H,1-3H3,(H,19,20)
InChIKeyJZFBNZTWSBHDQN-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
CID 24639260
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide (CID 17330741) is 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide is CC(C)c1ccc(C(=O)NC(C)c2ccncc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is JZFBNZTWSBHDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12(2)14-4-6-16(7-5-14)17(20)19-13(3)15-8-10-18-11-9-15/h4-13H,1-3H3,(H,19,20).
What are the key properties of 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide?
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 17330741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).