pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate

C26H28N4O3 — CID 156781188

IUPACpyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1)OCc1cccnc1
InChIInChI=1S/C26H28N4O3/c31-25(23-8-2-3-9-24(23)30-15-4-1-5-16-30)29-22-12-10-20(11-13-22)18-28-26(32)33-19-21-7-6-14-27-17-21/h2-3,6-14,17H,1,4-5,15-16,18-19H2,(H,28,32)(H,29,31)
InChIKeyUPBSHKDLLSLFTK-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.75
Rot. Bonds7

About pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate (PubChem CID 156781188) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate
PubChem CID156781188
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Namepyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1)OCc1cccnc1
InChIInChI=1S/C26H28N4O3/c31-25(23-8-2-3-9-24(23)30-15-4-1-5-16-30)29-22-12-10-20(11-13-22)18-28-26(32)33-19-21-7-6-14-27-17-21/h2-3,6-14,17H,1,4-5,15-16,18-19H2,(H,28,32)(H,29,31)
InChIKeyUPBSHKDLLSLFTK-UHFFFAOYSA-N
XLogP4.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-ylmethyl N-[[4-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781175
pyridin-3-ylmethyl N-[[4-[[2-(diethylamino)benzoyl]amino]phenyl]methyl]carbamate
CID 156781163
pyridin-3-ylmethyl N-[[4-[[5-fluoro-2-[4-(2-methoxyethyl)piperazin-1-yl]benzoyl]amino]phenyl]methyl]carbamate
CID 156781182
5-[(2-fluorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055044
pyridin-3-ylmethyl N-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamate
CID 10990261
5-[(3,5-dichlorobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055057
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
2-piperidin-1-yl-N-(pyridin-3-ylmethyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42755646
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976886
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(pyridin-3-ylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 1054189

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate (CID 156781188) is pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate is O=C(NCc1ccc(NC(=O)c2ccccc2N2CCCCC2)cc1)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate?
The InChIKey is UPBSHKDLLSLFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-25(23-8-2-3-9-24(23)30-15-4-1-5-16-30)29-22-12-10-20(11-13-22)18-28-26(32)33-19-21-7-6-14-27-17-21/h2-3,6-14,17H,1,4-5,15-16,18-19H2,(H,28,32)(H,29,31).
What are the key properties of pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate has a molecular weight of 444.54 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[[4-[(2-piperidin-1-ylbenzoyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 156781188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).