1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C24H26N4O2 — CID 162645603

IUPAC1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C24H26N4O2/c1-16-10-17(2)12-18(11-16)13-19-14-23(27-15-26-19)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29/h3-5,10-12,14-15,29H,6-9,13H2,1-2H3,(H,25,30)
InChIKeyWLJWYYGONSHETL-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.10
Rot. Bonds6

About 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162645603) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162645603
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C24H26N4O2/c1-16-10-17(2)12-18(11-16)13-19-14-23(27-15-26-19)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29/h3-5,10-12,14-15,29H,6-9,13H2,1-2H3,(H,25,30)
InChIKeyWLJWYYGONSHETL-UHFFFAOYSA-N
XLogP3.10
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162645603) is 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is Cc1cc(C)cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.
What is the InChIKey of 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is WLJWYYGONSHETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-10-17(2)12-18(11-16)13-19-14-23(27-15-26-19)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29/h3-5,10-12,14-15,29H,6-9,13H2,1-2H3,(H,25,30).
What are the key properties of 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3,5-dimethylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162645603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).