methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate

C14H21N3O2 — CID 62000109

IUPACmethyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCN1CCCC(Nc2ncccc2C(=O)OC)C1
InChIInChI=1S/C14H21N3O2/c1-3-17-9-5-6-11(10-17)16-13-12(14(18)19-2)7-4-8-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeyLDTABVPCRITUFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate

methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate (PubChem CID 62000109) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
PubChem CID62000109
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
SMILESCCN1CCCC(Nc2ncccc2C(=O)OC)C1
InChIInChI=1S/C14H21N3O2/c1-3-17-9-5-6-11(10-17)16-13-12(14(18)19-2)7-4-8-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,15,16)
InChIKeyLDTABVPCRITUFO-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
methyl 4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidine-2-carboxylate
CID 66286445
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
CID 133469048
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
CID 103082179
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate (CID 62000109) is methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate is CCN1CCCC(Nc2ncccc2C(=O)OC)C1.
What is the InChIKey of methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate?
The InChIKey is LDTABVPCRITUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17-9-5-6-11(10-17)16-13-12(14(18)19-2)7-4-8-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate?
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 62000109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).