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

C24H26N4O4 — CID 162647487

IUPAC1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)cc(OC)c1
InChIInChI=1S/C24H26N4O4/c1-31-18-11-16(12-19(14-18)32-2)10-17-13-23(27-15-26-17)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29/h3-5,11-15,29H,6-10H2,1-2H3,(H,25,30)
InChIKeyDNNVKCBIPFYJNY-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.50
Rot. Bonds8

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

1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162647487) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162647487
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESCOc1cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)cc(OC)c1
InChIInChI=1S/C24H26N4O4/c1-31-18-11-16(12-19(14-18)32-2)10-17-13-23(27-15-26-17)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29/h3-5,11-15,29H,6-10H2,1-2H3,(H,25,30)
InChIKeyDNNVKCBIPFYJNY-UHFFFAOYSA-N
XLogP2.50
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162647487) is 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is COc1cc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)cc(OC)c1.
What is the InChIKey of 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is DNNVKCBIPFYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-31-18-11-16(12-19(14-18)32-2)10-17-13-23(27-15-26-17)28-8-6-20-21(4-3-5-22(20)28)24(30)25-7-9-29/h3-5,11-15,29H,6-10H2,1-2H3,(H,25,30).
What are the key properties of 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3,5-dimethoxyphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162647487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).