3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide

C17H13ClN4O — CID 75538343

IUPAC3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide
SMILESN#Cc1cccc(NC(=O)CCn2ncc3ccc(Cl)cc32)c1
InChIInChI=1S/C17H13ClN4O/c18-14-5-4-13-11-20-22(16(13)9-14)7-6-17(23)21-15-3-1-2-12(8-15)10-19/h1-5,8-9,11H,6-7H2,(H,21,23)
InChIKeyUAVLFYDXCJYKGI-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.59
Rot. Bonds4

About 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide

3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide (PubChem CID 75538343) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide
PubChem CID75538343
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide
SMILESN#Cc1cccc(NC(=O)CCn2ncc3ccc(Cl)cc32)c1
InChIInChI=1S/C17H13ClN4O/c18-14-5-4-13-11-20-22(16(13)9-14)7-6-17(23)21-15-3-1-2-12(8-15)10-19/h1-5,8-9,11H,6-7H2,(H,21,23)
InChIKeyUAVLFYDXCJYKGI-UHFFFAOYSA-N
XLogP3.59
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
3-(6-chloroindazol-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 75538332
3-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)propanamide
CID 62647174
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
3-[(4-chlorophenyl)methylamino]-N-(3-cyanophenyl)propanamide
CID 109021937
2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
CID 64691051
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-chloroindazol-1-yl)propanamide
CID 91948691
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide (CID 75538343) is 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide is N#Cc1cccc(NC(=O)CCn2ncc3ccc(Cl)cc32)c1.
What is the InChIKey of 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide?
The InChIKey is UAVLFYDXCJYKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-5-4-13-11-20-22(16(13)9-14)7-6-17(23)21-15-3-1-2-12(8-15)10-19/h1-5,8-9,11H,6-7H2,(H,21,23).
What are the key properties of 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide?
3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide has a molecular weight of 324.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroindazol-1-yl)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 75538343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).