N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C14H18N6O3 — CID 56883066

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3c[nH]c(=O)[nH]3)C2)cc1=O
InChIInChI=1S/C14H18N6O3/c1-19-12(21)4-10(6-17-19)20-3-2-9(8-20)5-15-13(22)11-7-16-14(23)18-11/h4,6-7,9H,2-3,5,8H2,1H3,(H,15,22)(H2,16,18,23)
InChIKeyZSMQFGNNJUNNHA-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.95
Rot. Bonds4

About N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 56883066) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID56883066
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCn1ncc(N2CCC(CNC(=O)c3c[nH]c(=O)[nH]3)C2)cc1=O
InChIInChI=1S/C14H18N6O3/c1-19-12(21)4-10(6-17-19)20-3-2-9(8-20)5-15-13(22)11-7-16-14(23)18-11/h4,6-7,9H,2-3,5,8H2,1H3,(H,15,22)(H2,16,18,23)
InChIKeyZSMQFGNNJUNNHA-UHFFFAOYSA-N
XLogP-0.95
TPSA115.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
Sdccgsbi-0115093.P001
CID 45250840
1-cyclopentyl-3-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 31225371
1-cyclopentyl-3-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 31225373
2-(2,5-dioxo-1-imidazolidinyl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 56909022
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 56910826
2-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropyl-N-methylacetamide
CID 56915838
N~2~-ethyl-N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70704758
1-amino-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}cyclopropanecarboxamide
CID 70717343
2-(4-methyl-1,4-diazepan-1-yl)-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70726818
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(1-pyrrolidinyl)propanamide
CID 70728096

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 56883066) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is Cn1ncc(N2CCC(CNC(=O)c3c[nH]c(=O)[nH]3)C2)cc1=O.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is ZSMQFGNNJUNNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-19-12(21)4-10(6-17-19)20-3-2-9(8-20)5-15-13(22)11-7-16-14(23)18-11/h4,6-7,9H,2-3,5,8H2,1H3,(H,15,22)(H2,16,18,23).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 56883066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).