N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide

C18H21N5O2 — CID 108737029

IUPACN-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide
SMILESCn1ncc(C#N)c1NC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-23-17(15(12-19)13-21-23)22-16(24)10-6-3-7-11-20-18(25)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,20,25)(H,22,24)
InChIKeyKUJZXEYXAJRMOF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.22
Rot. Bonds8

About N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide

N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide (PubChem CID 108737029) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide
PubChem CID108737029
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide
SMILESCn1ncc(C#N)c1NC(=O)CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C18H21N5O2/c1-23-17(15(12-19)13-21-23)22-16(24)10-6-3-7-11-20-18(25)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,20,25)(H,22,24)
InChIKeyKUJZXEYXAJRMOF-UHFFFAOYSA-N
XLogP2.22
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
CID 108760008
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 112723814
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide
CID 19475491
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide?
The IUPAC name of N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide (CID 108737029) is N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide is Cn1ncc(C#N)c1NC(=O)CCCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide?
The InChIKey is KUJZXEYXAJRMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-23-17(15(12-19)13-21-23)22-16(24)10-6-3-7-11-20-18(25)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,20,25)(H,22,24).
What are the key properties of N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide?
N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide is sourced from PubChem (CID 108737029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).