N-propan-2-yl-4-pyridin-4-ylbenzamide

C15H16N2O — CID 18337148

IUPACN-propan-2-yl-4-pyridin-4-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H16N2O/c1-11(2)17-15(18)14-5-3-12(4-6-14)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyAEORGEQXMKYCLW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.89
Rot. Bonds3

About N-propan-2-yl-4-pyridin-4-ylbenzamide

N-propan-2-yl-4-pyridin-4-ylbenzamide (PubChem CID 18337148) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-propan-2-yl-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-pyridin-4-ylbenzamide
PubChem CID18337148
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-propan-2-yl-4-pyridin-4-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H16N2O/c1-11(2)17-15(18)14-5-3-12(4-6-14)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyAEORGEQXMKYCLW-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-pyridin-4-ylbenzamide?
The IUPAC name of N-propan-2-yl-4-pyridin-4-ylbenzamide (CID 18337148) is N-propan-2-yl-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-propan-2-yl-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-propan-2-yl-4-pyridin-4-ylbenzamide is CC(C)NC(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-propan-2-yl-4-pyridin-4-ylbenzamide?
The InChIKey is AEORGEQXMKYCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(2)17-15(18)14-5-3-12(4-6-14)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-4-pyridin-4-ylbenzamide?
N-propan-2-yl-4-pyridin-4-ylbenzamide has a molecular weight of 240.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 18337148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).