N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

C17H18ClN3O2 — CID 122162435

IUPACN-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H18ClN3O2/c1-11(17(23)19-10-13-4-2-3-5-14(13)18)21-16(22)9-8-15(20-21)12-6-7-12/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,23)
InChIKeyHQCWKSZWRKBNQB-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.65
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 122162435) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
PubChem CID122162435
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H18ClN3O2/c1-11(17(23)19-10-13-4-2-3-5-14(13)18)21-16(22)9-8-15(20-21)12-6-7-12/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,23)
InChIKeyHQCWKSZWRKBNQB-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 122246447
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 122278953
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 122278984
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279060
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
CID 122279117
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 122278784
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988265
(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 7988266
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 136513372
N-(4-chloro-3-nitrophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122278968

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (CID 122162435) is N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is CC(C(=O)NCc1ccccc1Cl)n1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is HQCWKSZWRKBNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(17(23)19-10-13-4-2-3-5-14(13)18)21-16(22)9-8-15(20-21)12-6-7-12/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,19,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 331.80 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 122162435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).