1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide

C17H18N4O4 — CID 138051195

IUPAC1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C17H18N4O4/c1-18-16(22)12-8-10-6-4-5-7-11(10)21(12)17(23)15-19-13(24-2)9-14(20-15)25-3/h4-7,9,12H,8H2,1-3H3,(H,18,22)
InChIKeyDQHJTHOSIBNUPS-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.81
Rot. Bonds4

About 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide

1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 138051195) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID138051195
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)c1nc(OC)cc(OC)n1
InChIInChI=1S/C17H18N4O4/c1-18-16(22)12-8-10-6-4-5-7-11(10)21(12)17(23)15-19-13(24-2)9-14(20-15)25-3/h4-7,9,12H,8H2,1-3H3,(H,18,22)
InChIKeyDQHJTHOSIBNUPS-UHFFFAOYSA-N
XLogP0.81
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2R)-1-[3-(4-methoxyphenyl)propanoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429031
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
N-methyl-1-(2-methylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587995
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
(2S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429154
(2S)-1-[2-(difluoromethylsulfonyl)benzoyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41231276
(2R)-N-methyl-1-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428990

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide (CID 138051195) is 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)c1nc(OC)cc(OC)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is DQHJTHOSIBNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-18-16(22)12-8-10-6-4-5-7-11(10)21(12)17(23)15-19-13(24-2)9-14(20-15)25-3/h4-7,9,12H,8H2,1-3H3,(H,18,22).
What are the key properties of 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide?
1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidine-2-carbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 138051195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).