2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C15H16ClN5O — CID 167840015

IUPAC2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(Cl)ncc1CC(=O)Nc1n[nH]c(C(C)C)c1C#N
InChIInChI=1S/C15H16ClN5O/c1-8(2)14-11(6-17)15(21-20-14)19-13(22)5-10-7-18-12(16)4-9(10)3/h4,7-8H,5H2,1-3H3,(H2,19,20,21,22)
InChIKeyABMGOSMIYPTUFI-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.94
Rot. Bonds4

About 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 167840015) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID167840015
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(Cl)ncc1CC(=O)Nc1n[nH]c(C(C)C)c1C#N
InChIInChI=1S/C15H16ClN5O/c1-8(2)14-11(6-17)15(21-20-14)19-13(22)5-10-7-18-12(16)4-9(10)3/h4,7-8H,5H2,1-3H3,(H2,19,20,21,22)
InChIKeyABMGOSMIYPTUFI-UHFFFAOYSA-N
XLogP2.94
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 167840015) is 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide is Cc1cc(Cl)ncc1CC(=O)Nc1n[nH]c(C(C)C)c1C#N.
What is the InChIKey of 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is ABMGOSMIYPTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-8(2)14-11(6-17)15(21-20-14)19-13(22)5-10-7-18-12(16)4-9(10)3/h4,7-8H,5H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 317.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-methyl-3-pyridinyl)-N-(4-cyano-5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 167840015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).