tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate

C19H23FN4O3 — CID 170731235

IUPACtert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(C(C)F)cn2)cn1
InChIInChI=1S/C19H23FN4O3/c1-11(20)13-6-7-15(21-9-13)14-10-22-17(23-12(2)25)8-16(14)24-18(26)27-19(3,4)5/h6-11H,1-5H3,(H2,22,23,24,25,26)
InChIKeyXMTBVUADLQKZIR-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.48
Rot. Bonds4

About tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate

tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate (PubChem CID 170731235) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate
PubChem CID170731235
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Nametert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(C(C)F)cn2)cn1
InChIInChI=1S/C19H23FN4O3/c1-11(20)13-6-7-15(21-9-13)14-10-22-17(23-12(2)25)8-16(14)24-18(26)27-19(3,4)5/h6-11H,1-5H3,(H2,22,23,24,25,26)
InChIKeyXMTBVUADLQKZIR-UHFFFAOYSA-N
XLogP4.48
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-acetamido-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188049
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate
CID 170731023
tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
CID 170730479
N-[4-[[2-(1,1-difluoroethyl)pyrimidin-4-yl]amino]-5-[5-(difluoromethoxy)-2-pyridinyl]-2-pyridinyl]acetamide
CID 175990883
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[3-(2,2-difluoroethoxy)-4-pyridinyl]carbamate
CID 170730754
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[4-(1-aminoethyl)-2-pyridinyl]carbamate
CID 172639114
tert-butyl N-(4-formyl-5-pyridin-4-yl-2-pyridinyl)carbamate
CID 162625012
tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
CID 170730862
tert-butyl N-[6-(4-propan-2-ylanilino)-3-pyridinyl]carbamate
CID 113017853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate (CID 170731235) is tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate is CC(=O)Nc1cc(NC(=O)OC(C)(C)C)c(-c2ccc(C(C)F)cn2)cn1.
What is the InChIKey of tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
The InChIKey is XMTBVUADLQKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-11(20)13-6-7-15(21-9-13)14-10-22-17(23-12(2)25)8-16(14)24-18(26)27-19(3,4)5/h6-11H,1-5H3,(H2,22,23,24,25,26).
What are the key properties of tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate?
tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate has a molecular weight of 374.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-acetamido-5-[5-(1-fluoroethyl)-2-pyridinyl]-4-pyridinyl]carbamate is sourced from PubChem (CID 170731235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).