(1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide

C14H20N4O — CID 94745708

IUPAC(1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NCCNC(=O)[C@@H]2CC=CCC2)nn1
InChIInChI=1S/C14H20N4O/c1-11-7-8-13(18-17-11)15-9-10-16-14(19)12-5-3-2-4-6-12/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,15,18)(H,16,19)/t12-/m1/s1
InChIKeyMQZWSIIWLCXJGQ-GFCCVEGCSA-N
MW260.34 g/mol
LogP1.67
Rot. Bonds5

About (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide

(1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 94745708) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID94745708
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NCCNC(=O)[C@@H]2CC=CCC2)nn1
InChIInChI=1S/C14H20N4O/c1-11-7-8-13(18-17-11)15-9-10-16-14(19)12-5-3-2-4-6-12/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,15,18)(H,16,19)/t12-/m1/s1
InChIKeyMQZWSIIWLCXJGQ-GFCCVEGCSA-N
XLogP1.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
CID 136782473
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 95320777
(1S)-N-[2-(3,5-dimethoxyanilino)ethyl]cyclohex-3-ene-1-carboxamide
CID 97240363
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-2,6-difluorobenzamide
CID 56789006
N-[2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]ethyl]-2,6-difluorobenzamide
CID 95624826
N-[2-(cyclohex-3-ene-1-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 167920644
(1S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 94182966

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide (CID 94745708) is (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide is Cc1ccc(NCCNC(=O)[C@@H]2CC=CCC2)nn1.
What is the InChIKey of (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is MQZWSIIWLCXJGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-7-8-13(18-17-11)15-9-10-16-14(19)12-5-3-2-4-6-12/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,15,18)(H,16,19)/t12-/m1/s1.
What are the key properties of (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide?
(1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94745708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).