N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

C21H19ClN4O2 — CID 109269354

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(N2c3ccccc3CC2C)nc1
InChIInChI=1S/C21H19ClN4O2/c1-13-9-14-5-3-4-6-18(14)26(13)21-23-11-15(12-24-21)20(27)25-17-10-16(22)7-8-19(17)28-2/h3-8,10-13H,9H2,1-2H3,(H,25,27)
InChIKeySZPGNWCQDYPBJC-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.47
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (PubChem CID 109269354) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
PubChem CID109269354
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(N2c3ccccc3CC2C)nc1
InChIInChI=1S/C21H19ClN4O2/c1-13-9-14-5-3-4-6-18(14)26(13)21-23-11-15(12-24-21)20(27)25-17-10-16(22)7-8-19(17)28-2/h3-8,10-13H,9H2,1-2H3,(H,25,27)
InChIKeySZPGNWCQDYPBJC-UHFFFAOYSA-N
XLogP4.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-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

Related Compounds

N-(2,3-dimethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109267191
N-(2,5-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178330
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3302526
N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7940760
N-(4-acetylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109270109
N-(5-chloro-2-methoxyphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242487
N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254548
N-(2-methoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109293406
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(3,4-dimethoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109245677
N-(2,4-dimethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109178358
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (CID 109269354) is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc(N2c3ccccc3CC2C)nc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is SZPGNWCQDYPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-13-9-14-5-3-4-6-18(14)26(13)21-23-11-15(12-24-21)20(27)25-17-10-16(22)7-8-19(17)28-2/h3-8,10-13H,9H2,1-2H3,(H,25,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).