tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate

C17H20ClN3O2 — CID 113012243

IUPACtert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C17H20ClN3O2/c1-17(2,3)23-16(22)21-13-8-9-15(20-11-13)19-10-12-6-4-5-7-14(12)18/h4-9,11H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyAYJOPDAWKNJRNQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.69
Rot. Bonds4

About tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate

tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 113012243) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID113012243
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Nametert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C17H20ClN3O2/c1-17(2,3)23-16(22)21-13-8-9-15(20-11-13)19-10-12-6-4-5-7-14(12)18/h4-9,11H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyAYJOPDAWKNJRNQ-UHFFFAOYSA-N
XLogP4.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012213
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
CID 113012194
tert-butyl N-[5-[(2-aminophenyl)methylamino]-2-pyridinyl]carbamate
CID 107243153
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
2-amino-N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]acetamide
CID 39178469
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[4-[[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]amino]-4-oxobutyl]carbamate
CID 75537481
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012316

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate (CID 113012243) is tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NCc2ccccc2Cl)nc1.
What is the InChIKey of tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is AYJOPDAWKNJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-17(2,3)23-16(22)21-13-8-9-15(20-11-13)19-10-12-6-4-5-7-14(12)18/h4-9,11H,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 333.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113012243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).