tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate

C22H30N4O2 — CID 113021092

IUPACtert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
SMILESCC1CCN(c2ccc(Nc3ccc(NC(=O)OC(C)(C)C)cn3)cc2)CC1
InChIInChI=1S/C22H30N4O2/c1-16-11-13-26(14-12-16)19-8-5-17(6-9-19)24-20-10-7-18(15-23-20)25-21(27)28-22(2,3)4/h5-10,15-16H,11-14H2,1-4H3,(H,23,24)(H,25,27)
InChIKeyYCUZQGZVFKJPPA-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.41
Rot. Bonds4

About tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate

tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate (PubChem CID 113021092) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
PubChem CID113021092
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Nametert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
SMILESCC1CCN(c2ccc(Nc3ccc(NC(=O)OC(C)(C)C)cn3)cc2)CC1
InChIInChI=1S/C22H30N4O2/c1-16-11-13-26(14-12-16)19-8-5-17(6-9-19)24-20-10-7-18(15-23-20)25-21(27)28-22(2,3)4/h5-10,15-16H,11-14H2,1-4H3,(H,23,24)(H,25,27)
InChIKeyYCUZQGZVFKJPPA-UHFFFAOYSA-N
XLogP5.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.41
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

methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
CID 113035718
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113021087
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
CID 113021128
tert-butyl N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]carbamate;N,N-dimethyl-1-[4-(methylamino)phenyl]piperidin-4-amine
CID 161481622
N-[6-[4-[4-(4-hydroxypiperidin-1-yl)anilino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 67113161
tert-butyl N-[6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]carbamate
CID 167726379
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate (CID 113021092) is tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate is CC1CCN(c2ccc(Nc3ccc(NC(=O)OC(C)(C)C)cn3)cc2)CC1.
What is the InChIKey of tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate?
The InChIKey is YCUZQGZVFKJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-11-13-26(14-12-16)19-8-5-17(6-9-19)24-20-10-7-18(15-23-20)25-21(27)28-22(2,3)4/h5-10,15-16H,11-14H2,1-4H3,(H,23,24)(H,25,27).
What are the key properties of tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate?
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate has a molecular weight of 382.51 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113021092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).