2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde

C19H22N2O — CID 143095857

IUPAC2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde
SMILESCc1ccc(-c2cccnc2)nc1CC1CCCCC1C=O
InChIInChI=1S/C19H22N2O/c1-14-8-9-18(16-7-4-10-20-12-16)21-19(14)11-15-5-2-3-6-17(15)13-22/h4,7-10,12-13,15,17H,2-3,5-6,11H2,1H3
InChIKeyILRUEXWUJOWNTM-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.00
Rot. Bonds4

About 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde

2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde (PubChem CID 143095857) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde
PubChem CID143095857
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde
SMILESCc1ccc(-c2cccnc2)nc1CC1CCCCC1C=O
InChIInChI=1S/C19H22N2O/c1-14-8-9-18(16-7-4-10-20-12-16)21-19(14)11-15-5-2-3-6-17(15)13-22/h4,7-10,12-13,15,17H,2-3,5-6,11H2,1H3
InChIKeyILRUEXWUJOWNTM-UHFFFAOYSA-N
XLogP4.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde (CID 143095857) is 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde is Cc1ccc(-c2cccnc2)nc1CC1CCCCC1C=O.
What is the InChIKey of 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde?
The InChIKey is ILRUEXWUJOWNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-8-9-18(16-7-4-10-20-12-16)21-19(14)11-15-5-2-3-6-17(15)13-22/h4,7-10,12-13,15,17H,2-3,5-6,11H2,1H3.
What are the key properties of 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde?
2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde has a molecular weight of 294.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-6-pyridin-3-yl-2-pyridinyl)methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 143095857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).