ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate

C18H29N5O3 — CID 109229132

IUPACethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cncc(C(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C18H29N5O3/c1-4-26-18(25)23-8-5-15(6-9-23)21-16-11-14(12-19-13-16)17(24)20-7-10-22(2)3/h11-13,15,21H,4-10H2,1-3H3,(H,20,24)
InChIKeyKJKDNYMOBDXLMZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.41
Rot. Bonds7

About ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 109229132) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID109229132
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nameethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cncc(C(=O)NCCN(C)C)c2)CC1
InChIInChI=1S/C18H29N5O3/c1-4-26-18(25)23-8-5-15(6-9-23)21-16-11-14(12-19-13-16)17(24)20-7-10-22(2)3/h11-13,15,21H,4-10H2,1-3H3,(H,20,24)
InChIKeyKJKDNYMOBDXLMZ-UHFFFAOYSA-N
XLogP1.41
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-(3-methylbutylcarbamoyl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109238248
ethyl 4-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109232246
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109238228
5-(cyclopropylamino)-N-propylpyridine-3-carboxamide
CID 109222760
ethyl 4-[[5-(2-methylpropylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109224977
ethyl 4-[[5-[(2-methylphenyl)methylamino]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109232111
ethyl 4-[[5-(butan-2-ylcarbamoyl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109102342
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109115992
ethyl 4-[[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109235079

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate (CID 109229132) is ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cncc(C(=O)NCCN(C)C)c2)CC1.
What is the InChIKey of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is KJKDNYMOBDXLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-4-26-18(25)23-8-5-15(6-9-23)21-16-11-14(12-19-13-16)17(24)20-7-10-22(2)3/h11-13,15,21H,4-10H2,1-3H3,(H,20,24).
What are the key properties of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109229132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).