N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C15H18N6O4 — CID 56910826

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1=O
InChIInChI=1S/C15H18N6O4/c1-20-12(22)4-10(6-18-20)21-3-2-9(8-21)5-16-13(23)11-7-17-15(25)19-14(11)24/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,23)(H2,17,19,24,25)
InChIKeyNBKBFDJKDRVBSX-UHFFFAOYSA-N
MW346.35 g/mol
LogP-1.59
Rot. Bonds4

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 56910826) has the molecular formula C15H18N6O4 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID56910826
Molecular FormulaC15H18N6O4
Molecular Weight346.35 g/mol
Exact Mass346.14
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1=O
InChIInChI=1S/C15H18N6O4/c1-20-12(22)4-10(6-18-20)21-3-2-9(8-21)5-16-13(23)11-7-17-15(25)19-14(11)24/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,23)(H2,17,19,24,25)
InChIKeyNBKBFDJKDRVBSX-UHFFFAOYSA-N
XLogP-1.59
TPSA132.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 56910826) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1ncc(N2CCC(CNC(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NBKBFDJKDRVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O4/c1-20-12(22)4-10(6-18-20)21-3-2-9(8-21)5-16-13(23)11-7-17-15(25)19-14(11)24/h4,6-7,9H,2-3,5,8H2,1H3,(H,16,23)(H2,17,19,24,25).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 346.35 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56910826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).