N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide

C14H12ClN3O — CID 115624549

IUPACN-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)C1CC1c1ccccc1
InChIInChI=1S/C14H12ClN3O/c15-12-6-7-13(18-17-12)16-14(19)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,16,18,19)
InChIKeyRRNJAZPLYHTFGY-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.87
Rot. Bonds3

About N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide

N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 115624549) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID115624549
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nn1)C1CC1c1ccccc1
InChIInChI=1S/C14H12ClN3O/c15-12-6-7-13(18-17-12)16-14(19)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,16,18,19)
InChIKeyRRNJAZPLYHTFGY-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
2-phenyl-N-[5-[4-[5-[(2-phenylcyclopropanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 123729437
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
5-chloro-6-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]pyridine-3-carboxamide
CID 95770496
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115624423
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide (CID 115624549) is N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)nn1)C1CC1c1ccccc1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is RRNJAZPLYHTFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-12-6-7-13(18-17-12)16-14(19)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,16,18,19).
What are the key properties of N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide?
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 115624549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).