4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile

C16H13N5 — CID 64900702

IUPAC4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCCc1ccncc1
InChIInChI=1S/C16H13N5/c17-11-15-16(13-3-1-2-4-14(13)20-21-15)19-10-7-12-5-8-18-9-6-12/h1-6,8-9H,7,10H2,(H,19,20)
InChIKeyPQBQZJPMPNWJGO-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.55
Rot. Bonds4

About 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile

4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile (PubChem CID 64900702) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile
PubChem CID64900702
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCCc1ccncc1
InChIInChI=1S/C16H13N5/c17-11-15-16(13-3-1-2-4-14(13)20-21-15)19-10-7-12-5-8-18-9-6-12/h1-6,8-9H,7,10H2,(H,19,20)
InChIKeyPQBQZJPMPNWJGO-UHFFFAOYSA-N
XLogP2.55
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile (CID 64900702) is 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCCc1ccncc1.
What is the InChIKey of 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile?
The InChIKey is PQBQZJPMPNWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-11-15-16(13-3-1-2-4-14(13)20-21-15)19-10-7-12-5-8-18-9-6-12/h1-6,8-9H,7,10H2,(H,19,20).
What are the key properties of 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile?
4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 64900702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).