4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C16H19N5O — CID 72873592

IUPAC4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2ccc(-c3nncn3C)cc2)CC1
InChIInChI=1S/C16H19N5O/c1-12-7-9-21(10-8-12)16(22)18-14-5-3-13(4-6-14)15-19-17-11-20(15)2/h3-7,11H,8-10H2,1-2H3,(H,18,22)
InChIKeyWAXFBKIPSVZMCE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.67
Rot. Bonds2

About 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 72873592) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID72873592
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2ccc(-c3nncn3C)cc2)CC1
InChIInChI=1S/C16H19N5O/c1-12-7-9-21(10-8-12)16(22)18-14-5-3-13(4-6-14)15-19-17-11-20(15)2/h3-7,11H,8-10H2,1-2H3,(H,18,22)
InChIKeyWAXFBKIPSVZMCE-UHFFFAOYSA-N
XLogP2.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 72873592) is 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2ccc(-c3nncn3C)cc2)CC1.
What is the InChIKey of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is WAXFBKIPSVZMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-7-9-21(10-8-12)16(22)18-14-5-3-13(4-6-14)15-19-17-11-20(15)2/h3-7,11H,8-10H2,1-2H3,(H,18,22).
What are the key properties of 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 72873592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).