N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide

C10H12N4O2 — CID 144577111

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2=CNC=CC2)o1
InChIInChI=1S/C10H12N4O2/c1-7-13-14-9(16-7)6-12-10(15)8-3-2-4-11-5-8/h2,4-5,11H,3,6H2,1H3,(H,12,15)
InChIKeyNGCBADYIZQRCRB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.39
Rot. Bonds3

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide (PubChem CID 144577111) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide
PubChem CID144577111
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide
SMILESCc1nnc(CNC(=O)C2=CNC=CC2)o1
InChIInChI=1S/C10H12N4O2/c1-7-13-14-9(16-7)6-12-10(15)8-3-2-4-11-5-8/h2,4-5,11H,3,6H2,1H3,(H,12,15)
InChIKeyNGCBADYIZQRCRB-UHFFFAOYSA-N
XLogP0.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide (CID 144577111) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide is Cc1nnc(CNC(=O)C2=CNC=CC2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide?
The InChIKey is NGCBADYIZQRCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-13-14-9(16-7)6-12-10(15)8-3-2-4-11-5-8/h2,4-5,11H,3,6H2,1H3,(H,12,15).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 144577111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).