N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H16N4O3 — CID 110743227

IUPACN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H16N4O3/c18-11-4-3-10(15-16-11)13(20)14-6-8-5-12(19)17(7-8)9-1-2-9/h3-4,8-9H,1-2,5-7H2,(H,14,20)(H,16,18)
InChIKeyUVOMJWGHPHAMJP-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.49
Rot. Bonds4

About N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110743227) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110743227
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CC(=O)N(C2CC2)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H16N4O3/c18-11-4-3-10(15-16-11)13(20)14-6-8-5-12(19)17(7-8)9-1-2-9/h3-4,8-9H,1-2,5-7H2,(H,14,20)(H,16,18)
InChIKeyUVOMJWGHPHAMJP-UHFFFAOYSA-N
XLogP-0.49
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42596640
N-[(3-bromocyclopentyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106128896
6-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridazine-3-carboxamide
CID 38442945
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 110719865
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 95712406
N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyridine-4-carboxamide
CID 125160120
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
N-[[(1R,5S)-8-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 138048559
N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-2-propylpyrazole-3-carboxamide
CID 125169973

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110743227) is N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC1CC(=O)N(C2CC2)C1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is UVOMJWGHPHAMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-11-4-3-10(15-16-11)13(20)14-6-8-5-12(19)17(7-8)9-1-2-9/h3-4,8-9H,1-2,5-7H2,(H,14,20)(H,16,18).
What are the key properties of N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110743227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).