N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

C11H17N3O2 — CID 94198841

IUPACN-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-8(7(2)3)12-11(16)9-5-6-10(15)14-13-9/h5-8H,4H2,1-3H3,(H,12,16)(H,14,15)/t8-/m1/s1
InChIKeyLNXRDRPFJNORQV-MRVPVSSYSA-N
MW223.28 g/mol
LogP0.93
Rot. Bonds4

About N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 94198841) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID94198841
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C11H17N3O2/c1-4-8(7(2)3)12-11(16)9-5-6-10(15)14-13-9/h5-8H,4H2,1-3H3,(H,12,16)(H,14,15)/t8-/m1/s1
InChIKeyLNXRDRPFJNORQV-MRVPVSSYSA-N
XLogP0.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-cycloheptyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 940468
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
N-[(2S)-3-methylbutan-2-yl]-6-oxo-N-prop-2-enyl-1H-pyridazine-3-carboxamide
CID 40151649
N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-6-hydroxypyridazine-3-carboxamide
CID 132228177
6-oxo-N-(4,4,4-trifluorobutan-2-yl)-1H-pyridazine-3-carboxamide
CID 104854846
6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridazine-3-carboxamide
CID 108113577
6-oxo-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)-1H-pyridazine-3-carboxamide
CID 132358045

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 94198841) is N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is CC[C@@H](NC(=O)c1ccc(=O)[nH]n1)C(C)C.
What is the InChIKey of N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LNXRDRPFJNORQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-8(7(2)3)12-11(16)9-5-6-10(15)14-13-9/h5-8H,4H2,1-3H3,(H,12,16)(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 94198841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).