tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate

C19H21F2N3O3 — CID 164562642

IUPACtert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)C(C)(C)c2ncc(F)cc2F)nc1
InChIInChI=1S/C19H21F2N3O3/c1-18(2,3)27-17(26)24-12-6-7-14(22-10-12)16(25)19(4,5)15-13(21)8-11(20)9-23-15/h6-10H,1-5H3,(H,24,26)
InChIKeySDHGZBXDBPLKAI-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate

tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate (PubChem CID 164562642) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate
PubChem CID164562642
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Nametert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)C(C)(C)c2ncc(F)cc2F)nc1
InChIInChI=1S/C19H21F2N3O3/c1-18(2,3)27-17(26)24-12-6-7-14(22-10-12)16(25)19(4,5)15-13(21)8-11(20)9-23-15/h6-10H,1-5H3,(H,24,26)
InChIKeySDHGZBXDBPLKAI-UHFFFAOYSA-N
XLogP4.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-fluoro-6-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155894591
tert-butyl N-[6-[2-methyl-2-(1-methylimidazol-4-yl)propanoyl]-3-pyridinyl]carbamate
CID 164562636
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoic acid
CID 162377884
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
diethyl oxalate;ethyl 4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-2,4-dioxobutanoate
CID 157051826
diethyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carbonyl]amino]propanedioate
CID 69267799
tert-butyl N-[6-(methoxymethyl)-3-pyridinyl]carbamate
CID 174674918
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[6-(N-methylanilino)-3-pyridinyl]carbamate
CID 113016500
tert-butyl N-[6-(3,5-dimethylanilino)-3-pyridinyl]carbamate
CID 113017105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate (CID 164562642) is tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)C(C)(C)c2ncc(F)cc2F)nc1.
What is the InChIKey of tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate?
The InChIKey is SDHGZBXDBPLKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-18(2,3)27-17(26)24-12-6-7-14(22-10-12)16(25)19(4,5)15-13(21)8-11(20)9-23-15/h6-10H,1-5H3,(H,24,26).
What are the key properties of tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate?
tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate has a molecular weight of 377.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 164562642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).