4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile

C22H17N5 — CID 71060916

IUPAC4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile
SMILESN#Cc1nnc2cc(-c3ccncc3)ccc2c1NCCc1ccccc1
InChIInChI=1S/C22H17N5/c23-15-21-22(25-13-8-16-4-2-1-3-5-16)19-7-6-18(14-20(19)26-27-21)17-9-11-24-12-10-17/h1-7,9-12,14H,8,13H2,(H,25,26)
InChIKeyWQQGSGNGJVTNEP-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.22
Rot. Bonds5

About 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile

4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile (PubChem CID 71060916) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile
PubChem CID71060916
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile
SMILESN#Cc1nnc2cc(-c3ccncc3)ccc2c1NCCc1ccccc1
InChIInChI=1S/C22H17N5/c23-15-21-22(25-13-8-16-4-2-1-3-5-16)19-7-6-18(14-20(19)26-27-21)17-9-11-24-12-10-17/h1-7,9-12,14H,8,13H2,(H,25,26)
InChIKeyWQQGSGNGJVTNEP-UHFFFAOYSA-N
XLogP4.22
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile?
The IUPAC name of 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile (CID 71060916) is 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile.
What is the SMILES notation for 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile?
The canonical SMILES for 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile is N#Cc1nnc2cc(-c3ccncc3)ccc2c1NCCc1ccccc1.
What is the InChIKey of 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile?
The InChIKey is WQQGSGNGJVTNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c23-15-21-22(25-13-8-16-4-2-1-3-5-16)19-7-6-18(14-20(19)26-27-21)17-9-11-24-12-10-17/h1-7,9-12,14H,8,13H2,(H,25,26).
What are the key properties of 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile?
4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)-7-pyridin-4-ylcinnoline-3-carbonitrile is sourced from PubChem (CID 71060916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).