ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate

C20H24N4O3 — CID 109215840

IUPACethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(Nc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)24-12-9-16(10-13-24)23-19(25)18-14-17(8-11-21-18)22-15-6-4-3-5-7-15/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,22)(H,23,25)
InChIKeyGUQLVXNSOATANQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.18
Rot. Bonds5

About ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 109215840) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID109215840
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(Nc3ccccc3)ccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)24-12-9-16(10-13-24)23-19(25)18-14-17(8-11-21-18)22-15-6-4-3-5-7-15/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,22)(H,23,25)
InChIKeyGUQLVXNSOATANQ-UHFFFAOYSA-N
XLogP3.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-(3-fluoroanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215860
ethyl 4-[[4-(4-ethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215853
ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
ethyl 4-[[2-(3-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109310198
ethyl 4-[[4-(4-methylpiperidin-1-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205297
ethyl 4-[[4-(dipropylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109215838
ethyl 4-[[5-(3,4-dimethylanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194066
ethyl 4-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109352783
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(3,5-dimethylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109310205
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate (CID 109215840) is ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(Nc3ccccc3)ccn2)CC1.
What is the InChIKey of ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is GUQLVXNSOATANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-27-20(26)24-12-9-16(10-13-24)23-19(25)18-14-17(8-11-21-18)22-15-6-4-3-5-7-15/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,21,22)(H,23,25).
What are the key properties of ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 368.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-anilinopyridine-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 109215840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).