2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile

C19H15N7O — CID 44562949

IUPAC2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1
InChIInChI=1S/C19H15N7O/c20-9-13-10-23-19(26-18(13)22-11-15-3-1-2-6-21-15)24-14-4-5-16-12(7-14)8-17(27)25-16/h1-7,10H,8,11H2,(H,25,27)(H2,22,23,24,26)
InChIKeyNZMLNSPBNGKNHW-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.59
Rot. Bonds5

About 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile

2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile (PubChem CID 44562949) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile
PubChem CID44562949
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1
InChIInChI=1S/C19H15N7O/c20-9-13-10-23-19(26-18(13)22-11-15-3-1-2-6-21-15)24-14-4-5-16-12(7-14)8-17(27)25-16/h1-7,10H,8,11H2,(H,25,27)(H2,22,23,24,26)
InChIKeyNZMLNSPBNGKNHW-UHFFFAOYSA-N
XLogP2.59
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile (CID 44562949) is 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile?
The InChIKey is NZMLNSPBNGKNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c20-9-13-10-23-19(26-18(13)22-11-15-3-1-2-6-21-15)24-14-4-5-16-12(7-14)8-17(27)25-16/h1-7,10H,8,11H2,(H,25,27)(H2,22,23,24,26).
What are the key properties of 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile?
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile has a molecular weight of 357.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-(pyridin-2-ylmethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 44562949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).