N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide

C16H23N3O2 — CID 16671501

IUPACN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1CC1
InChIInChI=1S/C16H23N3O2/c1-10(2)14(17-16(21)12-5-6-12)9-19-15(20)8-7-13(18-19)11-3-4-11/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyQYSCCXSMCYXDCV-CQSZACIVSA-N
MW289.38 g/mol
LogP1.67
Rot. Bonds6

About N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide

N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide (PubChem CID 16671501) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide
PubChem CID16671501
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1CC1
InChIInChI=1S/C16H23N3O2/c1-10(2)14(17-16(21)12-5-6-12)9-19-15(20)8-7-13(18-19)11-3-4-11/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyQYSCCXSMCYXDCV-CQSZACIVSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
(2S)-2-[[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]amino]propanamide
CID 129531435
2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 122246444
(2R)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530568
(2S)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 129530569
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide
CID 16671502
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16671504
N-[(2R)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide
CID 16671781
N-[(2R)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclobutanecarboxamide
CID 16672366
N-[(2R)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 16672369
2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802979

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide (CID 16671501) is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide is CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1CC1.
What is the InChIKey of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide?
The InChIKey is QYSCCXSMCYXDCV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)14(17-16(21)12-5-6-12)9-19-15(20)8-7-13(18-19)11-3-4-11/h7-8,10-12,14H,3-6,9H2,1-2H3,(H,17,21)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide?
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 16671501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).