N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide

C19H22N4O3 — CID 166288184

IUPACN-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCc1ccccc1C1(CNC(=O)N2CCc3c([nH]c(=O)[nH]c3=O)C2)CC1
InChIInChI=1S/C19H22N4O3/c1-12-4-2-3-5-14(12)19(7-8-19)11-20-18(26)23-9-6-13-15(10-23)21-17(25)22-16(13)24/h2-5H,6-11H2,1H3,(H,20,26)(H2,21,22,24,25)
InChIKeyATYFSNCVGKWLQL-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.17
Rot. Bonds3

About N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide

N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 166288184) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID166288184
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCc1ccccc1C1(CNC(=O)N2CCc3c([nH]c(=O)[nH]c3=O)C2)CC1
InChIInChI=1S/C19H22N4O3/c1-12-4-2-3-5-14(12)19(7-8-19)11-20-18(26)23-9-6-13-15(10-23)21-17(25)22-16(13)24/h2-5H,6-11H2,1H3,(H,20,26)(H2,21,22,24,25)
InChIKeyATYFSNCVGKWLQL-UHFFFAOYSA-N
XLogP1.17
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-oxo-2-phenylpiperazine-1-carboxamide
CID 138993513
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113213995
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 58523931
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113214312
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224
7-(3,4-dihydro-1H-isochromene-8-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958907
6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119183961

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide (CID 166288184) is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide is Cc1ccccc1C1(CNC(=O)N2CCc3c([nH]c(=O)[nH]c3=O)C2)CC1.
What is the InChIKey of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is ATYFSNCVGKWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-4-2-3-5-14(12)19(7-8-19)11-20-18(26)23-9-6-13-15(10-23)21-17(25)22-16(13)24/h2-5H,6-11H2,1H3,(H,20,26)(H2,21,22,24,25).
What are the key properties of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166288184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).