ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate

C24H38N4O3 — CID 129023697

IUPACethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
SMILES[H]/N=C(/c1c(N2CCC(COC)CC2)cc(C(=O)OCC)nc1NCC1CCC1)C(C)C
InChIInChI=1S/C24H38N4O3/c1-5-31-24(29)19-13-20(28-11-9-18(10-12-28)15-30-4)21(22(25)16(2)3)23(27-19)26-14-17-7-6-8-17/h13,16-18,25H,5-12,14-15H2,1-4H3,(H,26,27)/b25-22+
InChIKeyBKAZUTSHVGNMIF-YYDJUVGSSA-N
MW430.59 g/mol
LogP4.36
Rot. Bonds10

About ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate

ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate (PubChem CID 129023697) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
PubChem CID129023697
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Nameethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
SMILES[H]/N=C(/c1c(N2CCC(COC)CC2)cc(C(=O)OCC)nc1NCC1CCC1)C(C)C
InChIInChI=1S/C24H38N4O3/c1-5-31-24(29)19-13-20(28-11-9-18(10-12-28)15-30-4)21(22(25)16(2)3)23(27-19)26-14-17-7-6-8-17/h13,16-18,25H,5-12,14-15H2,1-4H3,(H,26,27)/b25-22+
InChIKeyBKAZUTSHVGNMIF-YYDJUVGSSA-N
XLogP4.36
TPSA87.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate with MolForge

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Related Compounds

ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129024045
ethyl 6-(cyclohexylamino)-4-[4-(hydroxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129033862
ethyl 6-[(2-chloro-6-methyl-4-pyridinyl)amino]-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 129024227
ethyl 1-(cyclobutylmethyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742392
ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate
CID 129033606
ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
CID 126742322
6-amino-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpentanimidoyl)pyridine-2-carbaldehyde
CID 145290719
ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
CID 129033688
4-[4-(fluoromethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
CID 129024089
5-(cyclobutanecarboximidoyl)-6-(4-fluoroanilino)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 129023914
ethyl 6-(cyclohexylamino)-5-(2-methylpropanimidoyl)-4-(2-methylpyrazol-3-yl)pyridine-2-carboxylate
CID 129033621
6-[(2-bromo-4-pyridinyl)amino]-4-(4-methoxypiperidin-1-yl)-5-(2-methylpropanimidoyl)pyridine-2-carboxylic acid
CID 145290611

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate (CID 129023697) is ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate is [H]/N=C(/c1c(N2CCC(COC)CC2)cc(C(=O)OCC)nc1NCC1CCC1)C(C)C.
What is the InChIKey of ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate?
The InChIKey is BKAZUTSHVGNMIF-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-5-31-24(29)19-13-20(28-11-9-18(10-12-28)15-30-4)21(22(25)16(2)3)23(27-19)26-14-17-7-6-8-17/h13,16-18,25H,5-12,14-15H2,1-4H3,(H,26,27)/b25-22+.
What are the key properties of ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate?
ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate has a molecular weight of 430.59 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate is sourced from PubChem (CID 129023697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).