6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile

C14H13N3S — CID 60733814

IUPAC6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N(Cc2cccs2)C2CC2)nc1
InChIInChI=1S/C14H13N3S/c15-8-11-3-6-14(16-9-11)17(12-4-5-12)10-13-2-1-7-18-13/h1-3,6-7,9,12H,4-5,10H2
InChIKeyBWVPXGVXSRGLBJ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.18
Rot. Bonds4

About 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile

6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 60733814) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID60733814
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N(Cc2cccs2)C2CC2)nc1
InChIInChI=1S/C14H13N3S/c15-8-11-3-6-14(16-9-11)17(12-4-5-12)10-13-2-1-7-18-13/h1-3,6-7,9,12H,4-5,10H2
InChIKeyBWVPXGVXSRGLBJ-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-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 62936059
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133350945
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
N-cyclopropyl-6-[(cyclopropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62287480
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900
5-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]benzonitrile
CID 114890523
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile (CID 60733814) is 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(N(Cc2cccs2)C2CC2)nc1.
What is the InChIKey of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is BWVPXGVXSRGLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-8-11-3-6-14(16-9-11)17(12-4-5-12)10-13-2-1-7-18-13/h1-3,6-7,9,12H,4-5,10H2.
What are the key properties of 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile?
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-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 6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 60733814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).