ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

C19H24N4O4 — CID 109155401

IUPACethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)NCc3ccco3)cn2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(25)23-9-7-15(8-10-23)22-17-6-5-14(12-20-17)18(24)21-13-16-4-3-11-27-16/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,20,22)(H,21,24)
InChIKeyBRKOVVGXVUJINY-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.64
Rot. Bonds6

About ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 109155401) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID109155401
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ccc(C(=O)NCc3ccco3)cn2)CC1
InChIInChI=1S/C19H24N4O4/c1-2-26-19(25)23-9-7-15(8-10-23)22-17-6-5-14(12-20-17)18(24)21-13-16-4-3-11-27-16/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,20,22)(H,21,24)
InChIKeyBRKOVVGXVUJINY-UHFFFAOYSA-N
XLogP2.64
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112858584
ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112889137
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
ethyl 4-[[5-(dipropylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160189
ethyl 4-[[2-(furan-2-ylmethylamino)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109169338
ethyl 4-[4-(furan-2-ylmethylcarbamoyl)cyclohexanecarbonyl]piperazine-1-carboxylate
CID 109147778
ethyl 4-[6-(furan-2-ylmethylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109117552
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
6-(cyclopropylamino)-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 75417135
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
[6-(cyclopropylamino)-3-pyridinyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56818322
ethyl 4-(furan-2-ylmethylcarbamoyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 46275330

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 109155401) is ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ccc(C(=O)NCc3ccco3)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is BRKOVVGXVUJINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-26-19(25)23-9-7-15(8-10-23)22-17-6-5-14(12-20-17)18(24)21-13-16-4-3-11-27-16/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,20,22)(H,21,24).
What are the key properties of ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109155401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).