benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

C24H30N4O3 — CID 59074849

IUPACbenzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C24H30N4O3/c29-23(20-9-12-25-22(15-20)27-21-7-4-8-21)26-16-18-10-13-28(14-11-18)24(30)31-17-19-5-2-1-3-6-19/h1-3,5-6,9,12,15,18,21H,4,7-8,10-11,13-14,16-17H2,(H,25,27)(H,26,29)
InChIKeyBRJHMELBUBJYAG-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.82
Rot. Bonds7

About benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 59074849) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
PubChem CID59074849
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Namebenzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESO=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccnc(NC2CCC2)c1
InChIInChI=1S/C24H30N4O3/c29-23(20-9-12-25-22(15-20)27-21-7-4-8-21)26-16-18-10-13-28(14-11-18)24(30)31-17-19-5-2-1-3-6-19/h1-3,5-6,9,12,15,18,21H,4,7-8,10-11,13-14,16-17H2,(H,25,27)(H,26,29)
InChIKeyBRJHMELBUBJYAG-UHFFFAOYSA-N
XLogP3.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933760
(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933731
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
benzyl 4-[[(5-hydroxypyrimidine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933592
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943
benzyl 4-[[[2-(methylamino)pyrimidine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933693
benzyl 4-[[(5-methyl-1H-imidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10132923
N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
CID 62243385
benzyl 4-[[(3-bromopyridine-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933764
benzyl 4-[[(6-chloropyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58933687

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (CID 59074849) is benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is O=C(NCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccnc(NC2CCC2)c1.
What is the InChIKey of benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is BRJHMELBUBJYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-23(20-9-12-25-22(15-20)27-21-7-4-8-21)26-16-18-10-13-28(14-11-18)24(30)31-17-19-5-2-1-3-6-19/h1-3,5-6,9,12,15,18,21H,4,7-8,10-11,13-14,16-17H2,(H,25,27)(H,26,29).
What are the key properties of benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 59074849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).