N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide

C12H19N3O3 — CID 97332692

IUPACN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1ccc(OC)nn1
InChIInChI=1S/C12H19N3O3/c1-4-8(2)10(7-16)13-12(17)9-5-6-11(18-3)15-14-9/h5-6,8,10,16H,4,7H2,1-3H3,(H,13,17)/t8-,10+/m1/s1
InChIKeyDPMSXLZZTXKUEE-SCZZXKLOSA-N
MW253.30 g/mol
LogP0.62
Rot. Bonds6

About N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide

N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide (PubChem CID 97332692) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide
PubChem CID97332692
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1ccc(OC)nn1
InChIInChI=1S/C12H19N3O3/c1-4-8(2)10(7-16)13-12(17)9-5-6-11(18-3)15-14-9/h5-6,8,10,16H,4,7H2,1-3H3,(H,13,17)/t8-,10+/m1/s1
InChIKeyDPMSXLZZTXKUEE-SCZZXKLOSA-N
XLogP0.62
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-methoxypyridazine-3-carboxamide
CID 52417420
6-methoxy-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 52992915
6-methoxy-N-(2-methoxyphenethyl)pyridazine-3-carboxamide
CID 52417431
N-(4-fluorobenzyl)-6-methoxypyridazine-3-carboxamide
CID 52417438
6-methoxy-N-(4-methoxybenzyl)pyridazine-3-carboxamide
CID 52417439
N-(2-(4-fluorophenoxy)ethyl)-6-methoxypyridazine-3-carboxamide
CID 56724389
N-benzyl-6-ethoxypyridazine-3-carboxamide
CID 56764581
N-cyclopropyl-N-(cyclopropylmethyl)-6-methoxypyridazine-3-carboxamide
CID 91643134
N-(2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)ethyl)-6-ethoxypyridazine-3-carboxamide
CID 122246334
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-6-methoxypyridazine-3-carboxamide
CID 132306132
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-methoxypyridazine-3-carboxamide
CID 164634399
N-[(2R)-1-hydroxybutan-2-yl]-6-methoxy-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]pyridazine-3-carboxamide
CID 153030332

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide (CID 97332692) is N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide is CC[C@@H](C)[C@H](CO)NC(=O)c1ccc(OC)nn1.
What is the InChIKey of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide?
The InChIKey is DPMSXLZZTXKUEE-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-8(2)10(7-16)13-12(17)9-5-6-11(18-3)15-14-9/h5-6,8,10,16H,4,7H2,1-3H3,(H,13,17)/t8-,10+/m1/s1.
What are the key properties of N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide?
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 97332692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).