3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide

C18H22N6O3 — CID 126919277

IUPAC3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCC2CN(c3cc4c(nn3)CCCC4)C2)c1=O
InChIInChI=1S/C18H22N6O3/c1-23-17(26)13(8-20-18(23)27)16(25)19-7-11-9-24(10-11)15-6-12-4-2-3-5-14(12)21-22-15/h6,8,11H,2-5,7,9-10H2,1H3,(H,19,25)(H,20,27)
InChIKeyAFQJOSUVBPVMDJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.39
Rot. Bonds4

About 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide

3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 126919277) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
PubChem CID126919277
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCC2CN(c3cc4c(nn3)CCCC4)C2)c1=O
InChIInChI=1S/C18H22N6O3/c1-23-17(26)13(8-20-18(23)27)16(25)19-7-11-9-24(10-11)15-6-12-4-2-3-5-14(12)21-22-15/h6,8,11H,2-5,7,9-10H2,1H3,(H,19,25)(H,20,27)
InChIKeyAFQJOSUVBPVMDJ-UHFFFAOYSA-N
XLogP-0.39
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide (CID 126919277) is 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NCC2CN(c3cc4c(nn3)CCCC4)C2)c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is AFQJOSUVBPVMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-23-17(26)13(8-20-18(23)27)16(25)19-7-11-9-24(10-11)15-6-12-4-2-3-5-14(12)21-22-15/h6,8,11H,2-5,7,9-10H2,1H3,(H,19,25)(H,20,27).
What are the key properties of 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide?
3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 126919277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).