N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide

C18H26N4O3 — CID 167745162

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCCC(NC(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1)C1CC2CCC1C2
InChIInChI=1S/C18H26N4O3/c1-2-14(13-8-10-3-4-11(13)7-10)20-18(25)22-6-5-12-15(9-22)19-17(24)21-16(12)23/h10-11,13-14H,2-9H2,1H3,(H,20,25)(H2,19,21,23,24)
InChIKeyGDDFMXSEDAFGBP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.35
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 167745162) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID167745162
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
SMILESCCC(NC(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1)C1CC2CCC1C2
InChIInChI=1S/C18H26N4O3/c1-2-14(13-8-10-3-4-11(13)7-10)20-18(25)22-6-5-12-15(9-22)19-17(24)21-16(12)23/h10-11,13-14H,2-9H2,1H3,(H,20,25)(H2,19,21,23,24)
InChIKeyGDDFMXSEDAFGBP-UHFFFAOYSA-N
XLogP1.35
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958921
7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958909
7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155959973
7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 58523931
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 5114597
7-(3,4-dihydro-1H-isochromene-8-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958907
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 124828152
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(butan-2-ylamino)acetamide
CID 60648644
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 129377497
7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958916

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide (CID 167745162) is N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide is CCC(NC(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is GDDFMXSEDAFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-14(13-8-10-3-4-11(13)7-10)20-18(25)22-6-5-12-15(9-22)19-17(24)21-16(12)23/h10-11,13-14H,2-9H2,1H3,(H,20,25)(H2,19,21,23,24).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 167745162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).