N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

C19H14Cl2N4O — CID 109356579

IUPACN-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C19H14Cl2N4O/c20-13-5-6-14(21)15(9-13)24-19(26)16-10-18(23-11-22-16)25-8-7-12-3-1-2-4-17(12)25/h1-6,9-11H,7-8H2,(H,24,26)
InChIKeyGFJJPIVKNUZJST-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.73
Rot. Bonds3

About N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109356579) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109356579
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC NameN-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C19H14Cl2N4O/c20-13-5-6-14(21)15(9-13)24-19(26)16-10-18(23-11-22-16)25-8-7-12-3-1-2-4-17(12)25/h1-6,9-11H,7-8H2,(H,24,26)
InChIKeyGFJJPIVKNUZJST-UHFFFAOYSA-N
XLogP4.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109356552
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242525
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109356572
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348179
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356271
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109176466
N-cyclohexyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carboxamide
CID 109342051
N-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350691
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109356579) is N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc(N2CCc3ccccc32)ncn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is GFJJPIVKNUZJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c20-13-5-6-14(21)15(9-13)24-19(26)16-10-18(23-11-22-16)25-8-7-12-3-1-2-4-17(12)25/h1-6,9-11H,7-8H2,(H,24,26).
What are the key properties of N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 385.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).