tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate

C20H25N3O3 — CID 142274095

IUPACtert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
SMILESCc1ncccc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-14-17(6-5-11-21-14)18(24)22-12-15-7-9-16(10-8-15)13-23-19(25)26-20(2,3)4/h5-11H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOKOQSEGHIBDXQF-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 142274095) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
PubChem CID142274095
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nametert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
SMILESCc1ncccc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-14-17(6-5-11-21-14)18(24)22-12-15-7-9-16(10-8-15)13-23-19(25)26-20(2,3)4/h5-11H,12-13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOKOQSEGHIBDXQF-UHFFFAOYSA-N
XLogP3.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 17476260
tert-butyl N-[[4-(benzenesulfonyl)phenyl]methyl]carbamate
CID 146037486
tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate
CID 54015016
tert-butyl N-[(2-ethyl-3-pyridinyl)methyl]carbamate
CID 118168082
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
tert-butyl N-[[4-[(5,6,7,8-tetrahydroquinolin-7-ylamino)methyl]phenyl]methyl]carbamate
CID 68900505

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate (CID 142274095) is tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate is Cc1ncccc1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The InChIKey is OKOQSEGHIBDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-17(6-5-11-21-14)18(24)22-12-15-7-9-16(10-8-15)13-23-19(25)26-20(2,3)4/h5-11H,12-13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 142274095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).