4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide

C20H23N5O2 — CID 172668586

IUPAC4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)NCCCn1cnnc1
InChIInChI=1S/C20H23N5O2/c1-15-9-12-25(16(2)17-7-4-3-5-8-17)20(27)18(15)19(26)21-10-6-11-24-13-22-23-14-24/h3-5,7-9,12-14,16H,6,10-11H2,1-2H3,(H,21,26)
InChIKeyWLYYWTIRIQYPSR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.18
Rot. Bonds7

About 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide

4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide (PubChem CID 172668586) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide
PubChem CID172668586
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)NCCCn1cnnc1
InChIInChI=1S/C20H23N5O2/c1-15-9-12-25(16(2)17-7-4-3-5-8-17)20(27)18(15)19(26)21-10-6-11-24-13-22-23-14-24/h3-5,7-9,12-14,16H,6,10-11H2,1-2H3,(H,21,26)
InChIKeyWLYYWTIRIQYPSR-UHFFFAOYSA-N
XLogP2.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide (CID 172668586) is 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)NCCCn1cnnc1.
What is the InChIKey of 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide?
The InChIKey is WLYYWTIRIQYPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-9-12-25(16(2)17-7-4-3-5-8-17)20(27)18(15)19(26)21-10-6-11-24-13-22-23-14-24/h3-5,7-9,12-14,16H,6,10-11H2,1-2H3,(H,21,26).
What are the key properties of 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide?
4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(1-phenylethyl)-N-[3-(1,2,4-triazol-4-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 172668586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).