methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate

C21H26N4O3 — CID 45197270

IUPACmethyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)c2ccc(C(=O)OC)cn2)C1
InChIInChI=1S/C21H26N4O3/c1-3-24(14-16-8-10-22-11-9-16)18-5-4-12-25(15-18)20(26)19-7-6-17(13-23-19)21(27)28-2/h6-11,13,18H,3-5,12,14-15H2,1-2H3
InChIKeyXZSADMSGTZNWSD-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.39
Rot. Bonds6

About methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 45197270) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID45197270
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Namemethyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCCN(Cc1ccncc1)C1CCCN(C(=O)c2ccc(C(=O)OC)cn2)C1
InChIInChI=1S/C21H26N4O3/c1-3-24(14-16-8-10-22-11-9-16)18-5-4-12-25(15-18)20(26)19-7-6-17(13-23-19)21(27)28-2/h6-11,13,18H,3-5,12,14-15H2,1-2H3
InChIKeyXZSADMSGTZNWSD-UHFFFAOYSA-N
XLogP2.39
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate with MolForge

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Related Compounds

Kdm5-C70
CID 90094283
Methyl 6-methylnicotinate
CID 231548
4,4'-Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 326419
Methyl 6-formylpyridine-3-carboxylate
CID 586269
methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
CID 121595845
6-Phenylethynyl-nicotinic acid methyl ester
CID 14343219
Methyl 2-[[[2-[[2-(dimethylamino)ethyl]ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinecarboxylate
CID 90094442
[1-(6-Methoxycarbonyl-3-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487874
[1-(6-Methoxycarbonyl-3-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487881
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Methyl 6-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24791265
1-[(4-Methoxycarbonyl-phenylcarbamoyl)-methyl]-2-methyl-pyridinium
CID 24746932

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate (CID 45197270) is methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate is CCN(Cc1ccncc1)C1CCCN(C(=O)c2ccc(C(=O)OC)cn2)C1.
What is the InChIKey of methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is XZSADMSGTZNWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-24(14-16-8-10-22-11-9-16)18-5-4-12-25(15-18)20(26)19-7-6-17(13-23-19)21(27)28-2/h6-11,13,18H,3-5,12,14-15H2,1-2H3.
What are the key properties of methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 45197270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).