N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide

C17H16N4O — CID 16614830

IUPACN-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccnc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H16N4O/c1-13-7-8-18-16(9-13)20-17(22)10-14-11-19-21(12-14)15-5-3-2-4-6-15/h2-9,11-12H,10H2,1H3,(H,18,20,22)
InChIKeyZMTLQEBJPNGDMZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.76
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide

N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16614830) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16614830
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccnc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H16N4O/c1-13-7-8-18-16(9-13)20-17(22)10-14-11-19-21(12-14)15-5-3-2-4-6-15/h2-9,11-12H,10H2,1H3,(H,18,20,22)
InChIKeyZMTLQEBJPNGDMZ-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide (CID 16614830) is N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide is Cc1ccnc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is ZMTLQEBJPNGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-13-7-8-18-16(9-13)20-17(22)10-14-11-19-21(12-14)15-5-3-2-4-6-15/h2-9,11-12H,10H2,1H3,(H,18,20,22).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide?
N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16614830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).