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

C14H13N3S — CID 62936059

IUPAC4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1cc(N(Cc2cccs2)C2CC2)ccn1
InChIInChI=1S/C14H13N3S/c15-9-11-8-13(5-6-16-11)17(12-3-4-12)10-14-2-1-7-18-14/h1-2,5-8,12H,3-4,10H2
InChIKeyDGIKZYSUFGCBBP-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.18
Rot. Bonds4

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

4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile (PubChem CID 62936059) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
PubChem CID62936059
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1cc(N(Cc2cccs2)C2CC2)ccn1
InChIInChI=1S/C14H13N3S/c15-9-11-8-13(5-6-16-11)17(12-3-4-12)10-14-2-1-7-18-14/h1-2,5-8,12H,3-4,10H2
InChIKeyDGIKZYSUFGCBBP-UHFFFAOYSA-N
XLogP3.18
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
CID 55157250
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814
4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile
CID 78918805
3-[(2-cyano-4-pyridinyl)-cyclopropylamino]propanoic acid
CID 62924637
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
5-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 114890523
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508
4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
CID 62491803
4-[propyl(pyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 55205925
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
N-cyclopropyl-3-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81247478

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile (CID 62936059) is 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile is N#Cc1cc(N(Cc2cccs2)C2CC2)ccn1.
What is the InChIKey of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
The InChIKey is DGIKZYSUFGCBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-9-11-8-13(5-6-16-11)17(12-3-4-12)10-14-2-1-7-18-14/h1-2,5-8,12H,3-4,10H2.
What are the key properties of 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile has a molecular weight of 255.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62936059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).