N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide

C14H14ClN3O — CID 115624553

IUPACN-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)6-9-14(19)16-13-8-7-12(15)17-18-13/h2-5,7-8H,6,9H2,1H3,(H,16,18,19)
InChIKeyIFIGQCHISYBOSN-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.01
Rot. Bonds4

About N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide

N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide (PubChem CID 115624553) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
PubChem CID115624553
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)6-9-14(19)16-13-8-7-12(15)17-18-13/h2-5,7-8H,6,9H2,1H3,(H,16,18,19)
InChIKeyIFIGQCHISYBOSN-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
CID 113456887
3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
CID 112535330
5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 102979199
(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
CID 104984882
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
2-bromo-N-(6-chloropyridazin-3-yl)propanamide
CID 107905835
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
2-[4-[3-(2-methylphenyl)propanoylamino]triazol-2-yl]acetic acid
CID 112534468
N-(2-bromo-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 103819476

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide (CID 115624553) is N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is IFIGQCHISYBOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)6-9-14(19)16-13-8-7-12(15)17-18-13/h2-5,7-8H,6,9H2,1H3,(H,16,18,19).
What are the key properties of N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide?
N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 275.74 g/mol, XLogP of 3.01, 4 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)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 115624553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).