6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H22N4O — CID 109369066

IUPAC6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C22H22N4O/c1-15-7-9-17(10-8-15)14-23-22(27)19-13-21(25-16(2)24-19)26-12-11-18-5-3-4-6-20(18)26/h3-10,13H,11-12,14H2,1-2H3,(H,23,27)
InChIKeyGURZFLQJFPCRPD-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.72
Rot. Bonds4

About 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109369066) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109369066
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(N3CCc4ccccc43)nc(C)n2)cc1
InChIInChI=1S/C22H22N4O/c1-15-7-9-17(10-8-15)14-23-22(27)19-13-21(25-16(2)24-19)26-12-11-18-5-3-4-6-20(18)26/h3-10,13H,11-12,14H2,1-2H3,(H,23,27)
InChIKeyGURZFLQJFPCRPD-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
5-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280543
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848407
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109367168
N-[2-(cyclohexen-1-yl)ethyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109364580
5-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282417
N-(4-cyanophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112848698

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109369066) is 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(N3CCc4ccccc43)nc(C)n2)cc1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is GURZFLQJFPCRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-7-9-17(10-8-15)14-23-22(27)19-13-21(25-16(2)24-19)26-12-11-18-5-3-4-6-20(18)26/h3-10,13H,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109369066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).