N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

C19H15BrN4O — CID 109266171

IUPACN-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C19H15BrN4O/c20-15-5-7-16(8-6-15)23-18(25)14-11-21-19(22-12-14)24-10-9-13-3-1-2-4-17(13)24/h1-8,11-12H,9-10H2,(H,23,25)
InChIKeyCHBZKURDNTXIQP-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.19
Rot. Bonds3

About N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide

N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (PubChem CID 109266171) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
PubChem CID109266171
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC NameN-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C19H15BrN4O/c20-15-5-7-16(8-6-15)23-18(25)14-11-21-19(22-12-14)24-10-9-13-3-1-2-4-17(13)24/h1-8,11-12H,9-10H2,(H,23,25)
InChIKeyCHBZKURDNTXIQP-UHFFFAOYSA-N
XLogP4.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266162
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109266150
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
2-(2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258571
N-(2,6-dichlorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266359
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266324
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
N-(3-chloro-4-methylphenyl)-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109162396

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (CID 109266171) is N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnc(N2CCc3ccccc32)nc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is CHBZKURDNTXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c20-15-5-7-16(8-6-15)23-18(25)14-11-21-19(22-12-14)24-10-9-13-3-1-2-4-17(13)24/h1-8,11-12H,9-10H2,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).