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

C23H24N4O2 — CID 162659193

IUPACN-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C23H24N4O2/c1-16-4-2-5-17(12-16)13-18-14-22(26-15-25-18)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h2-7,12,14-15,28H,8-11,13H2,1H3,(H,24,29)
InChIKeyPPAYEDUDNBCSAW-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.79
Rot. Bonds6

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

N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (PubChem CID 162659193) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
PubChem CID162659193
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1
InChIInChI=1S/C23H24N4O2/c1-16-4-2-5-17(12-16)13-18-14-22(26-15-25-18)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h2-7,12,14-15,28H,8-11,13H2,1H3,(H,24,29)
InChIKeyPPAYEDUDNBCSAW-UHFFFAOYSA-N
XLogP2.79
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-[6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 162663893
N-(2-hydroxyethyl)-1-[6-(3-methylanilino)pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide
CID 165004762
1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-N-propyl-2,3-dihydroindole-4-carboxamide
CID 165083045
1-[1-[6-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]-4-hydroxy-3-(hydroxymethyl)butan-1-one
CID 165090453
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
N-(2-fluoroethyl)-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653710
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653586
1-[1-[6-(3-methylphenyl)sulfanylpyrimidin-4-yl]-2,3-dihydroindol-4-yl]pentan-1-one
CID 164964615
N-[(2R)-3-fluoro-2-hydroxypropyl]-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653587
methyl 1-[6-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxylate
CID 122653431
5-fluoro-N-(3-hydroxypropyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181558

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide (CID 162659193) is N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is Cc1cccc(Cc2cc(N3CCc4c(C(=O)NCCO)cccc43)ncn2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is PPAYEDUDNBCSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-4-2-5-17(12-16)13-18-14-22(26-15-25-18)27-10-8-19-20(6-3-7-21(19)27)23(29)24-9-11-28/h2-7,12,14-15,28H,8-11,13H2,1H3,(H,24,29).
What are the key properties of N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide?
N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[6-[(3-methylphenyl)methyl]pyrimidin-4-yl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162659193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).