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

C20H17ClN4O — CID 109305878

IUPACN-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H17ClN4O/c21-16-7-3-1-6-15(16)13-23-19(26)17-9-11-22-20(24-17)25-12-10-14-5-2-4-8-18(14)25/h1-9,11H,10,12-13H2,(H,23,26)
InChIKeyRKRSIYGKOIGHDE-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.75
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109305878) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109305878
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C20H17ClN4O/c21-16-7-3-1-6-15(16)13-23-19(26)17-9-11-22-20(24-17)25-12-10-14-5-2-4-8-18(14)25/h1-9,11H,10,12-13H2,(H,23,26)
InChIKeyRKRSIYGKOIGHDE-UHFFFAOYSA-N
XLogP3.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307644
N-[(2-chlorophenyl)methyl]-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109189865
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
N-[(2-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302685
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691
2-(2,3-dihydroindol-1-yl)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314412
2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109314579
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311690
N-(3-acetylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109314422
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109305878) is N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is O=C(NCc1ccccc1Cl)c1ccnc(N2CCc3ccccc32)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is RKRSIYGKOIGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-7-3-1-6-15(16)13-23-19(26)17-9-11-22-20(24-17)25-12-10-14-5-2-4-8-18(14)25/h1-9,11H,10,12-13H2,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 364.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).