N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide

C18H20N4O3 — CID 72838254

IUPACN,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1c(CN(C)C(=O)c2cc(=O)n(C)c(=O)n2C)[nH]c2ccccc12
InChIInChI=1S/C18H20N4O3/c1-11-12-7-5-6-8-13(12)19-14(11)10-20(2)17(24)15-9-16(23)22(4)18(25)21(15)3/h5-9,19H,10H2,1-4H3
InChIKeyDJIFTQBZILUHCY-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.15
Rot. Bonds3

About N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide

N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 72838254) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
PubChem CID72838254
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
SMILESCc1c(CN(C)C(=O)c2cc(=O)n(C)c(=O)n2C)[nH]c2ccccc12
InChIInChI=1S/C18H20N4O3/c1-11-12-7-5-6-8-13(12)19-14(11)10-20(2)17(24)15-9-16(23)22(4)18(25)21(15)3/h5-9,19H,10H2,1-4H3
InChIKeyDJIFTQBZILUHCY-UHFFFAOYSA-N
XLogP1.15
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 70145463
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N-methyl-2-(methylamino)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridine-3-carboxamide
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1-methyl-1-[(3-methyl-1H-indol-2-yl)methyl]-3-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]urea
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3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
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3-(6-amino-3-pyridinyl)-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]prop-2-enamide
CID 73301288
N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126426672
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
N,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 46961703
2-[(3-methyl-1H-indol-2-yl)methyl]isoindole-1,3-dione
CID 11623432
N-cyclopentyl-1,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72851750
N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]-3-(2-oxo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-7-yl)prop-2-enamide
CID 68913817

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide (CID 72838254) is N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide is Cc1c(CN(C)C(=O)c2cc(=O)n(C)c(=O)n2C)[nH]c2ccccc12.
What is the InChIKey of N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is DJIFTQBZILUHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-12-7-5-6-8-13(12)19-14(11)10-20(2)17(24)15-9-16(23)22(4)18(25)21(15)3/h5-9,19H,10H2,1-4H3.
What are the key properties of N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide?
N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[(3-methyl-1H-indol-2-yl)methyl]-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 72838254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).