2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide

C22H21N5O — CID 109309599

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C22H21N5O/c1-27(17-7-3-2-4-8-17)21(28)20-12-14-24-22(26-20)23-13-11-16-15-25-19-10-6-5-9-18(16)19/h2-10,12,14-15,25H,11,13H2,1H3,(H,23,24,26)
InChIKeyIJFBSQPBAUHJPM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.89
Rot. Bonds6

About 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide

2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109309599) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109309599
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCN(C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1)c1ccccc1
InChIInChI=1S/C22H21N5O/c1-27(17-7-3-2-4-8-17)21(28)20-12-14-24-22(26-20)23-13-11-16-15-25-19-10-6-5-9-18(16)19/h2-10,12,14-15,25H,11,13H2,1H3,(H,23,24,26)
InChIKeyIJFBSQPBAUHJPM-UHFFFAOYSA-N
XLogP3.89
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
N-benzyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109303774
N-cyclopropyl-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109295766
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088496
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
CID 109302555
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109309620
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
2-N-[2-(1H-indol-3-yl)ethyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109138511
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 59564771

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109309599) is 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide is CN(C(=O)c1ccnc(NCCc2c[nH]c3ccccc23)n1)c1ccccc1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is IJFBSQPBAUHJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27(17-7-3-2-4-8-17)21(28)20-12-14-24-22(26-20)23-13-11-16-15-25-19-10-6-5-9-18(16)19/h2-10,12,14-15,25H,11,13H2,1H3,(H,23,24,26).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109309599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).