N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide

C18H15N5O — CID 25099397

IUPACN-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESO=C(NN1CCc2ccccc21)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C18H15N5O/c24-18(22-23-10-8-13-5-1-2-7-16(13)23)14-11-20-17(21-12-14)15-6-3-4-9-19-15/h1-7,9,11-12H,8,10H2,(H,22,24)
InChIKeyLLBGXZQZOLKABY-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.25
Rot. Bonds3

About N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide

N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 25099397) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID25099397
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESO=C(NN1CCc2ccccc21)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C18H15N5O/c24-18(22-23-10-8-13-5-1-2-7-16(13)23)14-11-20-17(21-12-14)15-6-3-4-9-19-15/h1-7,9,11-12H,8,10H2,(H,22,24)
InChIKeyLLBGXZQZOLKABY-UHFFFAOYSA-N
XLogP2.25
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide 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 N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 25099397) is N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide is O=C(NN1CCc2ccccc21)c1cnc(-c2ccccn2)nc1.
What is the InChIKey of N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is LLBGXZQZOLKABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-18(22-23-10-8-13-5-1-2-7-16(13)23)14-11-20-17(21-12-14)15-6-3-4-9-19-15/h1-7,9,11-12H,8,10H2,(H,22,24).
What are the key properties of N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide?
N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindol-1-yl)-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 25099397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).