2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one

C13H16N2O — CID 4166687

IUPAC2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one
SMILESCc1cccnc1NC=C1CCCCC1=O
InChIInChI=1S/C13H16N2O/c1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyGTNZVJUWUMNCME-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.83
Rot. Bonds2

About 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one

2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one (PubChem CID 4166687) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one
PubChem CID4166687
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one
SMILESCc1cccnc1NC=C1CCCCC1=O
InChIInChI=1S/C13H16N2O/c1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyGTNZVJUWUMNCME-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(anilinomethylidene)cycloheptan-1-one
CID 3677087
2-[(3-methylanilino)methylidene]cycloheptan-1-one
CID 5226356
(2E)-2-[[(5-chloro-2-pyridinyl)amino]methylidene]cyclohexan-1-one
CID 2997562
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
3-methyl-N-[(E)-2-(oxiran-2-yl)prop-1-enyl]pyridin-2-amine
CID 143711824
N-(4,6-dimethylpyrimidin-2-yl)-4-[[(Z)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide
CID 1104819
(2Z)-2-[(3,5-dichloroanilino)methylidene]cyclohexan-1-one
CID 2188500
2,2-dimethyl-N-(3-methyl-2-pyridinyl)propanamide
CID 1479965
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one
CID 5080547
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
The IUPAC name of 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one (CID 4166687) is 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one.
What is the SMILES notation for 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
The canonical SMILES for 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one is Cc1cccnc1NC=C1CCCCC1=O.
What is the InChIKey of 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
The InChIKey is GTNZVJUWUMNCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one?
2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methyl-2-pyridinyl)amino]methylidene]cyclohexan-1-one is sourced from PubChem (CID 4166687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).