N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

C20H19ClN2OS — CID 4192052

IUPACN-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccncc1
InChIInChI=1S/C20H19ClN2OS/c1-15(13-19-3-2-12-25-19)23(14-16-4-6-18(21)7-5-16)20(24)17-8-10-22-11-9-17/h2-12,15H,13-14H2,1H3
InChIKeyNMJJTTNPTINBQK-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.07
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 4192052) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID4192052
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccncc1
InChIInChI=1S/C20H19ClN2OS/c1-15(13-19-3-2-12-25-19)23(14-16-4-6-18(21)7-5-16)20(24)17-8-10-22-11-9-17/h2-12,15H,13-14H2,1H3
InChIKeyNMJJTTNPTINBQK-UHFFFAOYSA-N
XLogP5.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (CID 4192052) is N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccncc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is NMJJTTNPTINBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-15(13-19-3-2-12-25-19)23(14-16-4-6-18(21)7-5-16)20(24)17-8-10-22-11-9-17/h2-12,15H,13-14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 370.91 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 4192052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).