5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide

C12H15N3O — CID 175451919

IUPAC5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide
SMILESCNC(=O)C1C=CC(=C2C=CNCC2)C=N1
InChIInChI=1S/C12H15N3O/c1-13-12(16)11-3-2-10(8-15-11)9-4-6-14-7-5-9/h2-4,6,8,11,14H,5,7H2,1H3,(H,13,16)
InChIKeyCYZUYGNKULNBCG-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.55
Rot. Bonds1

About 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide

5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide (PubChem CID 175451919) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide
PubChem CID175451919
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide
SMILESCNC(=O)C1C=CC(=C2C=CNCC2)C=N1
InChIInChI=1S/C12H15N3O/c1-13-12(16)11-3-2-10(8-15-11)9-4-6-14-7-5-9/h2-4,6,8,11,14H,5,7H2,1H3,(H,13,16)
InChIKeyCYZUYGNKULNBCG-UHFFFAOYSA-N
XLogP0.55
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide (CID 175451919) is 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide is CNC(=O)C1C=CC(=C2C=CNCC2)C=N1.
What is the InChIKey of 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide?
The InChIKey is CYZUYGNKULNBCG-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/h2-4,6,8,11,14H,5,7H2,1H3,(H,13,16).
What are the key properties of 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide?
5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-pyridin-4-ylidene)-N-methyl-2H-pyridine-2-carboxamide is sourced from PubChem (CID 175451919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).