1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

C22H22N4O2 — CID 162665315

IUPAC1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccccc2)ncn1
InChIInChI=1S/C22H22N4O2/c27-12-10-23-22(28)19-7-4-8-20-18(19)9-11-26(20)21-14-17(24-15-25-21)13-16-5-2-1-3-6-16/h1-8,14-15,27H,9-13H2,(H,23,28)
InChIKeyUIAPOZHNQMKXTK-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.48
Rot. Bonds6

About 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide

1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (PubChem CID 162665315) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
PubChem CID162665315
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
SMILESO=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccccc2)ncn1
InChIInChI=1S/C22H22N4O2/c27-12-10-23-22(28)19-7-4-8-20-18(19)9-11-26(20)21-14-17(24-15-25-21)13-16-5-2-1-3-6-16/h1-8,14-15,27H,9-13H2,(H,23,28)
InChIKeyUIAPOZHNQMKXTK-UHFFFAOYSA-N
XLogP2.48
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(Benzylamino)-5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-2-Yl)-2-Methyl-1H-Indole-4-Carboxamide
CID 122685543
4-(Benzylamino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-3-carboxamide
CID 137348875
4-tert-butyl-N-[2-methyl-3-[5-[[methyl(prop-2-enoyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide
CID 162659093
(S)-N-(3-(2-hydroxyethylcarbamoyl)phenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 25187801
(S)-N-ethyl-1-methyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-indole-3-carboxamide
CID 46886503
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-4-ylurea
CID 46908048
1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909508
3-[[4-(7-ethyl-8-oxo-9H-purin-6-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
CID 57404049
1-(6-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67135774
1-(5-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283393
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-2-ylurea
CID 67283615
1-(4-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 67283926

Frequently Asked Questions

What is the IUPAC name of 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide (CID 162665315) is 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2ccccc2)ncn1.
What is the InChIKey of 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is UIAPOZHNQMKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-12-10-23-22(28)19-7-4-8-20-18(19)9-11-26(20)21-14-17(24-15-25-21)13-16-5-2-1-3-6-16/h1-8,14-15,27H,9-13H2,(H,23,28).
What are the key properties of 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide?
1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzylpyrimidin-4-yl)-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 162665315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).