tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate

C24H25ClN2O3 — CID 24753872

IUPACtert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C24H25ClN2O3/c1-24(2,3)30-23(28)27-22-11-7-10-20(26-22)15-18-14-19(25)12-13-21(18)29-16-17-8-5-4-6-9-17/h4-14H,15-16H2,1-3H3,(H,26,27,28)
InChIKeyNIDFJXLKDDKVLV-UHFFFAOYSA-N
MW424.93 g/mol
LogP6.25
Rot. Bonds6

About tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate

tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate (PubChem CID 24753872) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate
PubChem CID24753872
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Nametert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C24H25ClN2O3/c1-24(2,3)30-23(28)27-22-11-7-10-20(26-22)15-18-14-19(25)12-13-21(18)29-16-17-8-5-4-6-9-17/h4-14H,15-16H2,1-3H3,(H,26,27,28)
InChIKeyNIDFJXLKDDKVLV-UHFFFAOYSA-N
XLogP6.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]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

tert-butyl N-[6-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]-2-pyridinyl]carbamate
CID 143574272
tert-butyl N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 59786415
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 140535401
ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylic acid
CID 11646506
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
tert-butyl N-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]carbamate
CID 166911253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate (CID 24753872) is tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate?
The InChIKey is NIDFJXLKDDKVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-24(2,3)30-23(28)27-22-11-7-10-20(26-22)15-18-14-19(25)12-13-21(18)29-16-17-8-5-4-6-9-17/h4-14H,15-16H2,1-3H3,(H,26,27,28).
What are the key properties of tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate has a molecular weight of 424.93 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 24753872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).