6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde

C19H30N4O2 — CID 145290719

IUPAC6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde
SMILES[H]/N=C(/c1c(N2CCC(COC)CC2)cc(C=O)nc1N)C(C)CCC
InChIInChI=1S/C19H30N4O2/c1-4-5-13(2)18(20)17-16(10-15(11-24)22-19(17)21)23-8-6-14(7-9-23)12-25-3/h10-11,13-14,20H,4-9,12H2,1-3H3,(H2,21,22)/b20-18+
InChIKeySPTZZAXZUJEIAR-CZIZESTLSA-N
MW346.48 g/mol
LogP3.14
Rot. Bonds8

About 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde

6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde (PubChem CID 145290719) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde
PubChem CID145290719
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde
SMILES[H]/N=C(/c1c(N2CCC(COC)CC2)cc(C=O)nc1N)C(C)CCC
InChIInChI=1S/C19H30N4O2/c1-4-5-13(2)18(20)17-16(10-15(11-24)22-19(17)21)23-8-6-14(7-9-23)12-25-3/h10-11,13-14,20H,4-9,12H2,1-3H3,(H2,21,22)/b20-18+
InChIKeySPTZZAXZUJEIAR-CZIZESTLSA-N
XLogP3.14
TPSA92.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-anilino-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carbaldehyde
CID 155030047
ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129023697
ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129024045
6-anilino-5-ethanimidoyl-4-(4-hydroxypiperidin-1-yl)pyridine-2-carbaldehyde;methoxyethane
CID 145290098
2-[3-(methoxymethyl)pyrrolidin-1-yl]benzaldehyde
CID 64597755
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806
3-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 82799530
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023914
ethyl 1-(cyclobutylmethyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742392
6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80632225

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde (CID 145290719) is 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde is [H]/N=C(/c1c(N2CCC(COC)CC2)cc(C=O)nc1N)C(C)CCC.
What is the InChIKey of 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde?
The InChIKey is SPTZZAXZUJEIAR-CZIZESTLSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-5-13(2)18(20)17-16(10-15(11-24)22-19(17)21)23-8-6-14(7-9-23)12-25-3/h10-11,13-14,20H,4-9,12H2,1-3H3,(H2,21,22)/b20-18+.
What are the key properties of 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde?
6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde has a molecular weight of 346.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 145290719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).