(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone

C13H14N2O — CID 14155741

IUPAC(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone
SMILESCC1(C)C=CN(C(=O)c2cccnc2)C=C1
InChIInChI=1S/C13H14N2O/c1-13(2)5-8-15(9-6-13)12(16)11-4-3-7-14-10-11/h3-10H,1-2H3
InChIKeyBVVHDLGDZSVHNK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.59
Rot. Bonds1

About (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone

(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone (PubChem CID 14155741) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone
PubChem CID14155741
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone
SMILESCC1(C)C=CN(C(=O)c2cccnc2)C=C1
InChIInChI=1S/C13H14N2O/c1-13(2)5-8-15(9-6-13)12(16)11-4-3-7-14-10-11/h3-10H,1-2H3
InChIKeyBVVHDLGDZSVHNK-UHFFFAOYSA-N
XLogP2.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-ylethanone;hydrochloride
CID 69233376
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
CID 63362105
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82243127
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
CID 131854915
CID 131854915
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone?
The IUPAC name of (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone (CID 14155741) is (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone?
The canonical SMILES for (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone is CC1(C)C=CN(C(=O)c2cccnc2)C=C1.
What is the InChIKey of (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone?
The InChIKey is BVVHDLGDZSVHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-13(2)5-8-15(9-6-13)12(16)11-4-3-7-14-10-11/h3-10H,1-2H3.
What are the key properties of (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone?
(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone has a molecular weight of 214.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 14155741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).