6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile

C17H12ClN3S — CID 133392158

IUPAC6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC(c2ccc(Cl)cc2)c2cccs2)n1
InChIInChI=1S/C17H12ClN3S/c18-13-8-6-12(7-9-13)17(15-4-2-10-22-15)21-16-5-1-3-14(11-19)20-16/h1-10,17H,(H,20,21)
InChIKeySVCXUSWPWOGJLQ-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.87
Rot. Bonds4

About 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile

6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile (PubChem CID 133392158) has the molecular formula C17H12ClN3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile
PubChem CID133392158
Molecular FormulaC17H12ClN3S
Molecular Weight325.82 g/mol
Exact Mass325.04
IUPAC Name6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NC(c2ccc(Cl)cc2)c2cccs2)n1
InChIInChI=1S/C17H12ClN3S/c18-13-8-6-12(7-9-13)17(15-4-2-10-22-15)21-16-5-1-3-14(11-19)20-16/h1-10,17H,(H,20,21)
InChIKeySVCXUSWPWOGJLQ-UHFFFAOYSA-N
XLogP4.87
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 133392698
4-chloro-2-(dithiophen-2-ylmethylamino)benzonitrile
CID 43780568
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
CID 94129459
6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
CID 122132155
2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373557
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
4-chloro-N-[2-[(6-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 133392057
2-[(6-cyano-2-pyridinyl)amino]-2-phenylacetamide
CID 133392006
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
CID 75512507
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
6-(pent-4-yn-2-ylamino)pyridine-2-carbonitrile
CID 115658850

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile (CID 133392158) is 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile is N#Cc1cccc(NC(c2ccc(Cl)cc2)c2cccs2)n1.
What is the InChIKey of 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile?
The InChIKey is SVCXUSWPWOGJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3S/c18-13-8-6-12(7-9-13)17(15-4-2-10-22-15)21-16-5-1-3-14(11-19)20-16/h1-10,17H,(H,20,21).
What are the key properties of 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile?
6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile has a molecular weight of 325.82 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).