4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

C19H28N6O2 — CID 172668009

IUPAC4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NC(C)c1nncn1C(C)C
InChIInChI=1S/C19H28N6O2/c1-12(2)25-11-21-23-17(25)14(4)22-18(26)16-13(3)7-10-24(19(16)27)15-5-8-20-9-6-15/h7,10-12,14-15,20H,5-6,8-9H2,1-4H3,(H,22,26)
InChIKeyDFVVPKZOCQAJPS-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.74
Rot. Bonds5

About 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide

4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 172668009) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID172668009
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NC(C)c1nncn1C(C)C
InChIInChI=1S/C19H28N6O2/c1-12(2)25-11-21-23-17(25)14(4)22-18(26)16-13(3)7-10-24(19(16)27)15-5-8-20-9-6-15/h7,10-12,14-15,20H,5-6,8-9H2,1-4H3,(H,22,26)
InChIKeyDFVVPKZOCQAJPS-UHFFFAOYSA-N
XLogP1.74
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide (CID 172668009) is 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)NC(C)c1nncn1C(C)C.
What is the InChIKey of 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is DFVVPKZOCQAJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12(2)25-11-21-23-17(25)14(4)22-18(26)16-13(3)7-10-24(19(16)27)15-5-8-20-9-6-15/h7,10-12,14-15,20H,5-6,8-9H2,1-4H3,(H,22,26).
What are the key properties of 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide?
4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-piperidin-4-yl-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 172668009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).