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

C19H25N3O2 — CID 113017853

IUPACtert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)cn2)cc1
InChIInChI=1S/C19H25N3O2/c1-13(2)14-6-8-15(9-7-14)21-17-11-10-16(12-20-17)22-18(23)24-19(3,4)5/h6-13H,1-5H3,(H,20,21)(H,22,23)
InChIKeyNMWZWKBFCQRABF-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.30
Rot. Bonds4

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

tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate (PubChem CID 113017853) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
PubChem CID113017853
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nametert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)cn2)cc1
InChIInChI=1S/C19H25N3O2/c1-13(2)14-6-8-15(9-7-14)21-17-11-10-16(12-20-17)22-18(23)24-19(3,4)5/h6-13H,1-5H3,(H,20,21)(H,22,23)
InChIKeyNMWZWKBFCQRABF-UHFFFAOYSA-N
XLogP5.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
CID 113032752
tert-butyl N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]carbamate
CID 113012243
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate (CID 113017853) is tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate is CC(C)c1ccc(Nc2ccc(NC(=O)OC(C)(C)C)cn2)cc1.
What is the InChIKey of tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate?
The InChIKey is NMWZWKBFCQRABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)14-6-8-15(9-7-14)21-17-11-10-16(12-20-17)22-18(23)24-19(3,4)5/h6-13H,1-5H3,(H,20,21)(H,22,23).
What are the key properties of tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate?
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 5.30, 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-(4-propan-2-ylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 113017853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).