3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide

C12H15N3O — CID 175519112

IUPAC3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=CC=C(C2=CCN=CC2)CN1
InChIInChI=1S/C12H15N3O/c1-13-12(16)11-3-2-10(8-15-11)9-4-6-14-7-5-9/h2-4,7,15H,5-6,8H2,1H3,(H,13,16)
InChIKeyHGCVHWHPXUEVFO-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.55
Rot. Bonds2

About 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide

3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide (PubChem CID 175519112) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide
PubChem CID175519112
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide
SMILESCNC(=O)C1=CC=C(C2=CCN=CC2)CN1
InChIInChI=1S/C12H15N3O/c1-13-12(16)11-3-2-10(8-15-11)9-4-6-14-7-5-9/h2-4,7,15H,5-6,8H2,1H3,(H,13,16)
InChIKeyHGCVHWHPXUEVFO-UHFFFAOYSA-N
XLogP0.55
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide?
The IUPAC name of 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide (CID 175519112) is 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide.
What is the SMILES notation for 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide?
The canonical SMILES for 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide is CNC(=O)C1=CC=C(C2=CCN=CC2)CN1.
What is the InChIKey of 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide?
The InChIKey is HGCVHWHPXUEVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-12(16)11-3-2-10(8-15-11)9-4-6-14-7-5-9/h2-4,7,15H,5-6,8H2,1H3,(H,13,16).
What are the key properties of 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide?
3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydropyridin-4-yl)-N-methyl-1,2-dihydropyridine-6-carboxamide is sourced from PubChem (CID 175519112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).