ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate

C19H23N3O4 — CID 133469987

IUPACethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C19H23N3O4/c1-3-25-19(24)16-5-4-9-20-17(16)22-10-6-14(7-11-22)21-18(23)15-8-12-26-13(15)2/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyNKYSJUHSIUMJPO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.56
Rot. Bonds5

About ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate

ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 133469987) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID133469987
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nameethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N1CCC(NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C19H23N3O4/c1-3-25-19(24)16-5-4-9-20-17(16)22-10-6-14(7-11-22)21-18(23)15-8-12-26-13(15)2/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,21,23)
InChIKeyNKYSJUHSIUMJPO-UHFFFAOYSA-N
XLogP2.56
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
CID 133468930
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
ethyl 2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxylate
CID 123284983
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133361207
ethyl 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyridine-3-carboxylate
CID 99617166
6-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053563
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
ethyl 2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 75507252
N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133401169
ethyl 2-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 133471190
ethyl 2-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 124617188
ethyl 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]pyridine-3-carboxylate
CID 47082849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate (CID 133469987) is ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N1CCC(NC(=O)c2ccoc2C)CC1.
What is the InChIKey of ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is NKYSJUHSIUMJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-25-19(24)16-5-4-9-20-17(16)22-10-6-14(7-11-22)21-18(23)15-8-12-26-13(15)2/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-methylfuran-3-carbonyl)amino]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 133469987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).