tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate

C20H26N4O3 — CID 113021128

IUPACtert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(25)22-15-8-9-18(21-14-15)23-16-6-4-5-7-17(16)24-10-12-26-13-11-24/h4-9,14H,10-13H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyBAPFGUNXYGNKGU-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.01
Rot. Bonds4

About tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate

tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate (PubChem CID 113021128) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
PubChem CID113021128
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(25)22-15-8-9-18(21-14-15)23-16-6-4-5-7-17(16)24-10-12-26-13-11-24/h4-9,14H,10-13H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyBAPFGUNXYGNKGU-UHFFFAOYSA-N
XLogP4.01
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-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-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035740
4-[2-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]phenyl]morpholine
CID 113035765
5-(tert-butylamino)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109195247
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113035749
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109152097
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate (CID 113021128) is tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Nc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate?
The InChIKey is BAPFGUNXYGNKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,3)27-19(25)22-15-8-9-18(21-14-15)23-16-6-4-5-7-17(16)24-10-12-26-13-11-24/h4-9,14H,10-13H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113021128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).