tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate

C18H23ClN4O2 — CID 22452892

IUPACtert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1ncccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O2/c1-18(2,3)25-17(24)23(14-8-6-13(19)7-9-14)12-11-22-16-15(20)5-4-10-21-16/h4-10H,11-12,20H2,1-3H3,(H,21,22)
InChIKeyXEXQPXYBCJFDRE-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.17
Rot. Bonds5

About tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate

tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate (PubChem CID 22452892) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate
PubChem CID22452892
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Nametert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCNc1ncccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O2/c1-18(2,3)25-17(24)23(14-8-6-13(19)7-9-14)12-11-22-16-15(20)5-4-10-21-16/h4-10H,11-12,20H2,1-3H3,(H,21,22)
InChIKeyXEXQPXYBCJFDRE-UHFFFAOYSA-N
XLogP4.17
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-pyridin-3-ylcarbamate
CID 83717033
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
tert-butyl N-[2-[[2-[2-(4-chloroanilino)ethylamino]-3-pyridinyl]-(4-chlorophenyl)sulfonylamino]ethyl]carbamate
CID 22452889
tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate
CID 142449240
tert-butyl N-(2-aminoethyl)-N-pyridin-2-ylcarbamate
CID 83717032
tert-butyl N-(2-aminoethyl)-N-phenylcarbamate;N'-phenylethane-1,2-diamine
CID 174804063
tert-butyl N-(2-acetamidoethyl)-N-(3,5-dichlorophenyl)carbamate
CID 141067660
tert-butyl N-bromo-N-(4-chlorophenyl)carbamate
CID 87186979
tert-butyl 2-[4-[(3-amino-2-pyridinyl)amino]phenyl]acetate
CID 159451507
2-[(3-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334011
3-[2-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 63118555
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate?
The IUPAC name of tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate (CID 22452892) is tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate is CC(C)(C)OC(=O)N(CCNc1ncccc1N)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate?
The InChIKey is XEXQPXYBCJFDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-18(2,3)25-17(24)23(14-8-6-13(19)7-9-14)12-11-22-16-15(20)5-4-10-21-16/h4-10H,11-12,20H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate?
tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate has a molecular weight of 362.86 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-amino-2-pyridinyl)amino]ethyl]-N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 22452892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).