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

C19H15ClN4O — CID 109266162

IUPACN-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C19H15ClN4O/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)
InChIKeyBIUVODSEOPROSA-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.08
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (PubChem CID 109266162) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
PubChem CID109266162
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC NameN-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(N2CCc3ccccc32)nc1
InChIInChI=1S/C19H15ClN4O/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)
InChIKeyBIUVODSEOPROSA-UHFFFAOYSA-N
XLogP4.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266171
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109266221
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
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156
3-chloro-N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
CID 113016598
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
2-(2,3-dihydroindol-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109266150
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-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide (CID 109266162) is N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(N2CCc3ccccc32)nc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
The InChIKey is BIUVODSEOPROSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/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-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide?
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).