1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide

C19H22N4O3 — CID 46972230

IUPAC1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide
SMILESCCCn1c(C)cc2cc(NC(=O)c3cc(=O)n(C)c(=O)n3C)ccc21
InChIInChI=1S/C19H22N4O3/c1-5-8-23-12(2)9-13-10-14(6-7-15(13)23)20-18(25)16-11-17(24)22(4)19(26)21(16)3/h6-7,9-11H,5,8H2,1-4H3,(H,20,25)
InChIKeyJQPGYQSEUCFVCI-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.01
Rot. Bonds4

About 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 46972230) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide
PubChem CID46972230
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide
SMILESCCCn1c(C)cc2cc(NC(=O)c3cc(=O)n(C)c(=O)n3C)ccc21
InChIInChI=1S/C19H22N4O3/c1-5-8-23-12(2)9-13-10-14(6-7-15(13)23)20-18(25)16-11-17(24)22(4)19(26)21(16)3/h6-7,9-11H,5,8H2,1-4H3,(H,20,25)
InChIKeyJQPGYQSEUCFVCI-UHFFFAOYSA-N
XLogP2.01
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-N-(4-methylphenyl)indole-2-carboxamide
CID 7329101
1-[2-(dimethylamino)ethyl]-N-(2-methyl-1-propylindol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46969619
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
N-(1-ethyl-2-methylindol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131932657
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-1-propylindol-5-yl)acetamide
CID 51595046
3,6-dimethyl-1-propylpyrimidine-2,4-dione
CID 91622846
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
CID 126436507
2-amino-N-(1-ethyl-2-methylindol-5-yl)propanamide
CID 131907510
N-(1-ethyl-2-methylindol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 131891608
N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 131945031
2-N,5-N-bis[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1-propylindole-2,5-dicarboxamide
CID 67550244
N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
CID 131946732

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide (CID 46972230) is 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide is CCCn1c(C)cc2cc(NC(=O)c3cc(=O)n(C)c(=O)n3C)ccc21.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is JQPGYQSEUCFVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-5-8-23-12(2)9-13-10-14(6-7-15(13)23)20-18(25)16-11-17(24)22(4)19(26)21(16)3/h6-7,9-11H,5,8H2,1-4H3,(H,20,25).
What are the key properties of 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-1-propylindol-5-yl)-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 46972230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).