cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide

C17H20N4O — CID 95320777

IUPACcis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)nn1
InChIInChI=1S/C17H20N4O/c1-12-7-8-16(21-20-12)18-9-10-19-17(22)15-11-14(15)13-5-3-2-4-6-13/h2-8,14-15H,9-11H2,1H3,(H,18,21)(H,19,22)/t14-,15-/m1/s1
InChIKeyBRYNBONYRFFBAD-HUUCEWRRSA-N
MW296.37 g/mol
LogP2.12
Rot. Bonds6

About cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 95320777) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID95320777
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Namecis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)nn1
InChIInChI=1S/C17H20N4O/c1-12-7-8-16(21-20-12)18-9-10-19-17(22)15-11-14(15)13-5-3-2-4-6-13/h2-8,14-15H,9-11H2,1H3,(H,18,21)(H,19,22)/t14-,15-/m1/s1
InChIKeyBRYNBONYRFFBAD-HUUCEWRRSA-N
XLogP2.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95309406
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 95568786
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 115624549
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 2862508
2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide
CID 86935010
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 19329964
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide (CID 95320777) is cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide is Cc1ccc(NCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)nn1.
What is the InChIKey of cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BRYNBONYRFFBAD-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-7-8-16(21-20-12)18-9-10-19-17(22)15-11-14(15)13-5-3-2-4-6-13/h2-8,14-15H,9-11H2,1H3,(H,18,21)(H,19,22)/t14-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 95320777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).