5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde

C14H20N2O2 — CID 80631209

IUPAC5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(C)CC1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(10-17)8-15-14(11)16(2)9-12-3-5-18-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyDZFSSSSGGVJOOV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.07
Rot. Bonds4

About 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde

5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde (PubChem CID 80631209) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
PubChem CID80631209
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N(C)CC1CCOCC1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(10-17)8-15-14(11)16(2)9-12-3-5-18-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyDZFSSSSGGVJOOV-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,3-N-dimethyl-2-N,3-N-bis(oxan-4-ylmethyl)pyrazine-2,3-diamine
CID 75478549
4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80845882
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
4-[cyclopropylmethyl(methyl)amino]-3,5-difluorobenzaldehyde
CID 63052736
5-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
(E)-3-[5-methyl-6-[methyl(oxan-4-yl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633850
6-[(4-bromophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80636625
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97044604
5-chloro-4-[methyl(oxan-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 137009662
6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
CID 80638223
4-chloro-2-[methyl(oxan-4-ylmethyl)amino]benzaldehyde
CID 114844340

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde (CID 80631209) is 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N(C)CC1CCOCC1.
What is the InChIKey of 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is DZFSSSSGGVJOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-13(10-17)8-15-14(11)16(2)9-12-3-5-18-6-4-12/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde?
5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[methyl(oxan-4-ylmethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80631209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).