N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide

C18H15ClN2OS — CID 60580164

IUPACN-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)cn1
InChIInChI=1S/C18H15ClN2OS/c1-12-2-3-14(10-20-12)18(22)21-17(15-8-9-23-11-15)13-4-6-16(19)7-5-13/h2-11,17H,1H3,(H,21,22)
InChIKeyZVPSEXKMUSSVCE-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.62
Rot. Bonds4

About N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide

N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide (PubChem CID 60580164) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide
PubChem CID60580164
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)cn1
InChIInChI=1S/C18H15ClN2OS/c1-12-2-3-14(10-20-12)18(22)21-17(15-8-9-23-11-15)13-4-6-16(19)7-5-13/h2-11,17H,1H3,(H,21,22)
InChIKeyZVPSEXKMUSSVCE-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 60580165
2-acetamido-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]propanamide
CID 86840905
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868
N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 95247677
N'-[2-(4-chlorophenyl)acetyl]-6-methylpyridine-3-carbohydrazide
CID 31117850
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
(6-methyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 63155454
(2R)-N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 124619301
3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide
CID 119746415
3-amino-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119746414
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]methanesulfonamide
CID 47389490
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60579990

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide (CID 60580164) is N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2ccsc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is ZVPSEXKMUSSVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-12-2-3-14(10-20-12)18(22)21-17(15-8-9-23-11-15)13-4-6-16(19)7-5-13/h2-11,17H,1H3,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide?
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 342.85 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 60580164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).