tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate

C28H34N4O4 — CID 24967614

IUPACtert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C28H34N4O4/c1-27(2,3)36-26(34)30(5)28(4)14-16-31(20-28)24-12-11-22(18-29-24)32-15-13-23(17-25(32)33)35-19-21-9-7-6-8-10-21/h6-13,15,17-18H,14,16,19-20H2,1-5H3
InChIKeyMFCSUDKWZZVICP-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.65
Rot. Bonds6

About tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate (PubChem CID 24967614) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
PubChem CID24967614
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Nametert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1(C)CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C28H34N4O4/c1-27(2,3)36-26(34)30(5)28(4)14-16-31(20-28)24-12-11-22(18-29-24)32-15-13-23(17-25(32)33)35-19-21-9-7-6-8-10-21/h6-13,15,17-18H,14,16,19-20H2,1-5H3
InChIKeyMFCSUDKWZZVICP-UHFFFAOYSA-N
XLogP4.65
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate (CID 24967614) is tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1(C)CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
The InChIKey is MFCSUDKWZZVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-27(2,3)36-26(34)30(5)28(4)14-16-31(20-28)24-12-11-22(18-29-24)32-15-13-23(17-25(32)33)35-19-21-9-7-6-8-10-21/h6-13,15,17-18H,14,16,19-20H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate has a molecular weight of 490.60 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 24967614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).