N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide

C23H24N4O — CID 109311690

IUPACN-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H24N4O/c1-17(2)27(16-18-8-4-3-5-9-18)22(28)20-12-14-24-23(25-20)26-15-13-19-10-6-7-11-21(19)26/h3-12,14,17H,13,15-16H2,1-2H3
InChIKeyJULLQFABRBCFNZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.22
Rot. Bonds5

About N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109311690) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109311690
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(N2CCc3ccccc32)n1
InChIInChI=1S/C23H24N4O/c1-17(2)27(16-18-8-4-3-5-9-18)22(28)20-12-14-24-23(25-20)26-15-13-19-10-6-7-11-21(19)26/h3-12,14,17H,13,15-16H2,1-2H3
InChIKeyJULLQFABRBCFNZ-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314281
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307644
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112890854
2-(2,3-dihydroindol-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109312097
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109305878
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-[2-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-N-methylbenzamide
CID 24834345
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302589
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481
N-benzyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyrimidin-4-amine
CID 112892929

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide (CID 109311690) is N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccnc(N2CCc3ccccc32)n1.
What is the InChIKey of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JULLQFABRBCFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17(2)27(16-18-8-4-3-5-9-18)22(28)20-12-14-24-23(25-20)26-15-13-19-10-6-7-11-21(19)26/h3-12,14,17H,13,15-16H2,1-2H3.
What are the key properties of N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dihydroindol-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109311690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).