N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide

C22H21N5O — CID 109261239

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C22H21N5O/c1-15-6-2-4-8-19(15)27-22-25-13-17(14-26-22)21(28)23-11-10-16-12-24-20-9-5-3-7-18(16)20/h2-9,12-14,24H,10-11H2,1H3,(H,23,28)(H,25,26,27)
InChIKeySHGXMPSVEOCITQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109261239) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
PubChem CID109261239
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccccc1Nc1ncc(C(=O)NCCc2c[nH]c3ccccc23)cn1
InChIInChI=1S/C22H21N5O/c1-15-6-2-4-8-19(15)27-22-25-13-17(14-26-22)21(28)23-11-10-16-12-24-20-9-5-3-7-18(16)20/h2-9,12-14,24H,10-11H2,1H3,(H,23,28)(H,25,26,27)
InChIKeySHGXMPSVEOCITQ-UHFFFAOYSA-N
XLogP3.98
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
N-(2,3-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261301
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258682
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
2-(2,3-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331642
6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159767
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide (CID 109261239) is N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide is Cc1ccccc1Nc1ncc(C(=O)NCCc2c[nH]c3ccccc23)cn1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is SHGXMPSVEOCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-6-2-4-8-19(15)27-22-25-13-17(14-26-22)21(28)23-11-10-16-12-24-20-9-5-3-7-18(16)20/h2-9,12-14,24H,10-11H2,1H3,(H,23,28)(H,25,26,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).