tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate

C20H28N4O2 — CID 113035609

IUPACtert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1
InChIInChI=1S/C20H28N4O2/c1-6-24(7-2)17-11-8-15(9-12-17)22-16-10-13-18(21-14-16)23-19(25)26-20(3,4)5/h8-14,22H,6-7H2,1-5H3,(H,21,23,25)
InChIKeyPQGQGBSXGYGCMO-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.02
Rot. Bonds6

About tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate

tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate (PubChem CID 113035609) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
PubChem CID113035609
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Nametert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1
InChIInChI=1S/C20H28N4O2/c1-6-24(7-2)17-11-8-15(9-12-17)22-16-10-13-18(21-14-16)23-19(25)26-20(3,4)5/h8-14,22H,6-7H2,1-5H3,(H,21,23,25)
InChIKeyPQGQGBSXGYGCMO-UHFFFAOYSA-N
XLogP5.02
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035163
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
tert-butyl N-[5-(3-chloroanilino)-2-pyridinyl]carbamate
CID 113033323
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
N-[5-[4-(diethylamino)anilino]-2-pyridinyl]-3-methoxybenzamide
CID 113035591
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
tert-butyl N-[5-(5-methylheptan-3-ylamino)-2-pyridinyl]carbamate
CID 107243064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate (CID 113035609) is tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate is CCN(CC)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)nc2)cc1.
What is the InChIKey of tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate?
The InChIKey is PQGQGBSXGYGCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-6-24(7-2)17-11-8-15(9-12-17)22-16-10-13-18(21-14-16)23-19(25)26-20(3,4)5/h8-14,22H,6-7H2,1-5H3,(H,21,23,25).
What are the key properties of tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate?
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate has a molecular weight of 356.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113035609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).