(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

C29H34N4O3 — CID 58933760

IUPAC(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(CNc2cc(C(=O)NCC3CCN(C(=O)OCc4ccc(C)cc4)CC3)ccn2)cc1
InChIInChI=1S/C29H34N4O3/c1-21-3-7-23(8-4-21)18-31-27-17-26(11-14-30-27)28(34)32-19-24-12-15-33(16-13-24)29(35)36-20-25-9-5-22(2)6-10-25/h3-11,14,17,24H,12-13,15-16,18-20H2,1-2H3,(H,30,31)(H,32,34)
InChIKeyRVMMQOZAMXFSLZ-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.09
Rot. Bonds8

About (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate

(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 58933760) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
PubChem CID58933760
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
SMILESCc1ccc(CNc2cc(C(=O)NCC3CCN(C(=O)OCc4ccc(C)cc4)CC3)ccn2)cc1
InChIInChI=1S/C29H34N4O3/c1-21-3-7-23(8-4-21)18-31-27-17-26(11-14-30-27)28(34)32-19-24-12-15-33(16-13-24)29(35)36-20-25-9-5-22(2)6-10-25/h3-11,14,17,24H,12-13,15-16,18-20H2,1-2H3,(H,30,31)(H,32,34)
InChIKeyRVMMQOZAMXFSLZ-UHFFFAOYSA-N
XLogP5.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(4-methylphenyl)methyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933724
(4-methylphenyl)methyl 4-[[[2-(pentan-3-ylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 58933731
benzyl 4-[[[2-(cyclobutylamino)pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 59074849
(4-methylphenyl)methyl 4-[[(4-acetylbenzoyl)amino]methyl]piperidine-1-carboxylate
CID 58933564
(4-methylphenyl)methyl 4-[[[4-(2-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylate
CID 58933569
(4-methylphenyl)methyl 4-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 10178059
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
CID 62243385
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109170032
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate (CID 58933760) is (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is Cc1ccc(CNc2cc(C(=O)NCC3CCN(C(=O)OCc4ccc(C)cc4)CC3)ccn2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is RVMMQOZAMXFSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-21-3-7-23(8-4-21)18-31-27-17-26(11-14-30-27)28(34)32-19-24-12-15-33(16-13-24)29(35)36-20-25-9-5-22(2)6-10-25/h3-11,14,17,24H,12-13,15-16,18-20H2,1-2H3,(H,30,31)(H,32,34).
What are the key properties of (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate?
(4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 486.62 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 4-[[[2-[(4-methylphenyl)methylamino]pyridine-4-carbonyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58933760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).