N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide

C19H18N2OS — CID 162410483

IUPACN-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C19H18N2OS/c1-2-12-21(19(22)17-9-6-13-23-17)18-14-16(10-11-20-18)15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3
InChIKeyOGLJVBLINTUASZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.87
Rot. Bonds5

About N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide

N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide (PubChem CID 162410483) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide
PubChem CID162410483
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C19H18N2OS/c1-2-12-21(19(22)17-9-6-13-23-17)18-14-16(10-11-20-18)15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3
InChIKeyOGLJVBLINTUASZ-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide (CID 162410483) is N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide?
The InChIKey is OGLJVBLINTUASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-2-12-21(19(22)17-9-6-13-23-17)18-14-16(10-11-20-18)15-7-4-3-5-8-15/h3-11,13-14H,2,12H2,1H3.
What are the key properties of N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide?
N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-2-pyridinyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 162410483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).