2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide

C13H15ClN6O2 — CID 166349911

IUPAC2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide
SMILESCc1cnc(Cl)cc1NC(=O)Nc1cc(C)n(CC(N)=O)n1
InChIInChI=1S/C13H15ClN6O2/c1-7-5-16-10(14)4-9(7)17-13(22)18-12-3-8(2)20(19-12)6-11(15)21/h3-5H,6H2,1-2H3,(H2,15,21)(H2,16,17,18,19,22)
InChIKeyZLOPZKDVIDNSPS-UHFFFAOYSA-N
MW322.76 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide

2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide (PubChem CID 166349911) has the molecular formula C13H15ClN6O2 and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide
PubChem CID166349911
Molecular FormulaC13H15ClN6O2
Molecular Weight322.76 g/mol
Exact Mass322.09
IUPAC Name2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide
SMILESCc1cnc(Cl)cc1NC(=O)Nc1cc(C)n(CC(N)=O)n1
InChIInChI=1S/C13H15ClN6O2/c1-7-5-16-10(14)4-9(7)17-13(22)18-12-3-8(2)20(19-12)6-11(15)21/h3-5H,6H2,1-2H3,(H2,15,21)(H2,16,17,18,19,22)
InChIKeyZLOPZKDVIDNSPS-UHFFFAOYSA-N
XLogP1.68
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide (CID 166349911) is 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide is Cc1cnc(Cl)cc1NC(=O)Nc1cc(C)n(CC(N)=O)n1.
What is the InChIKey of 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide?
The InChIKey is ZLOPZKDVIDNSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O2/c1-7-5-16-10(14)4-9(7)17-13(22)18-12-3-8(2)20(19-12)6-11(15)21/h3-5H,6H2,1-2H3,(H2,15,21)(H2,16,17,18,19,22).
What are the key properties of 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide?
2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide has a molecular weight of 322.76 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-5-methyl-4-pyridinyl)carbamoylamino]-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 166349911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).