2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide

C22H21N5O — CID 90680605

IUPAC2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C22H21N5O/c1-16-13-17-7-5-6-10-20(17)27(16)12-11-23-21(28)18-14-24-22(25-15-18)26-19-8-3-2-4-9-19/h2-10,13-15H,11-12H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyGRLAKJMAAOZRNS-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.91
Rot. Bonds6

About 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide

2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 90680605) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID90680605
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C22H21N5O/c1-16-13-17-7-5-6-10-20(17)27(16)12-11-23-21(28)18-14-24-22(25-15-18)26-19-8-3-2-4-9-19/h2-10,13-15H,11-12H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyGRLAKJMAAOZRNS-UHFFFAOYSA-N
XLogP3.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide (CID 90680605) is 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is GRLAKJMAAOZRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-13-17-7-5-6-10-20(17)27(16)12-11-23-21(28)18-14-24-22(25-15-18)26-19-8-3-2-4-9-19/h2-10,13-15H,11-12H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide?
2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[2-(2-methylindol-1-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 90680605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).