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

C14H13N3O — CID 55003502

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C14H13N3O/c15-9-11-5-6-16-14(8-11)17(12-3-4-12)10-13-2-1-7-18-13/h1-2,5-8,12H,3-4,10H2
InChIKeyYHLRMYDXHXVVIX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds4

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

2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile (PubChem CID 55003502) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
PubChem CID55003502
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C14H13N3O/c15-9-11-5-6-16-14(8-11)17(12-3-4-12)10-13-2-1-7-18-13/h1-2,5-8,12H,3-4,10H2
InChIKeyYHLRMYDXHXVVIX-UHFFFAOYSA-N
XLogP2.72
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile (CID 55003502) is 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(N(Cc2ccco2)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile?
The InChIKey is YHLRMYDXHXVVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-9-11-5-6-16-14(8-11)17(12-3-4-12)10-13-2-1-7-18-13/h1-2,5-8,12H,3-4,10H2.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile?
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 55003502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).