(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone

C14H18N2O — CID 100645152

IUPAC(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCC1=C(C)CN(C(=O)c2cccnc2C)CC1
InChIInChI=1S/C14H18N2O/c1-10-6-8-16(9-11(10)2)14(17)13-5-4-7-15-12(13)3/h4-5,7H,6,8-9H2,1-3H3
InChIKeyXAGAMJUJYZIQBA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.57
Rot. Bonds1

About (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone

(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone (PubChem CID 100645152) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone
PubChem CID100645152
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCC1=C(C)CN(C(=O)c2cccnc2C)CC1
InChIInChI=1S/C14H18N2O/c1-10-6-8-16(9-11(10)2)14(17)13-5-4-7-15-12(13)3/h4-5,7H,6,8-9H2,1-3H3
InChIKeyXAGAMJUJYZIQBA-UHFFFAOYSA-N
XLogP2.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone (CID 100645152) is (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone is CC1=C(C)CN(C(=O)c2cccnc2C)CC1.
What is the InChIKey of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone?
The InChIKey is XAGAMJUJYZIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-8-16(9-11(10)2)14(17)13-5-4-7-15-12(13)3/h4-5,7H,6,8-9H2,1-3H3.
What are the key properties of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone?
(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone has a molecular weight of 230.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 100645152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).