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

C23H24N4O3 — CID 162672139

IUPACN-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C23H24N4O3/c1-30-18-5-2-4-16(13-18)12-17-14-22(26-15-25-17)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h2-7,13-15,28H,8-12H2,1H3,(H,24,29)
InChIKeyHBQOBOFTIDPSBT-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.49
Rot. Bonds7

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

N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 162672139) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID162672139
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESCOc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C23H24N4O3/c1-30-18-5-2-4-16(13-18)12-17-14-22(26-15-25-17)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h2-7,13-15,28H,8-12H2,1H3,(H,24,29)
InChIKeyHBQOBOFTIDPSBT-UHFFFAOYSA-N
XLogP2.49
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 162672139) is N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is COc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is HBQOBOFTIDPSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-18-5-2-4-16(13-18)12-17-14-22(26-15-25-17)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h2-7,13-15,28H,8-12H2,1H3,(H,24,29).
What are the key properties of N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[6-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162672139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).