5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide

C32H33N5O5 — CID 16666315

IUPAC5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide
SMILESCOc1c(NC(=O)c2cnc(C)c(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2)cc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C32H33N5O5/c1-19-25(31(40)36-22-9-11-24(12-10-22)42-18-23-8-6-7-13-34-23)14-20(17-35-19)30(39)37-27-16-21(32(2,3)4)15-26(29(33)38)28(27)41-5/h6-17H,18H2,1-5H3,(H2,33,38)(H,36,40)(H,37,39)
InChIKeyRQQLDPLWFZFAEX-UHFFFAOYSA-N
MW567.65 g/mol
LogP5.27
Rot. Bonds9

About 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide

5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 16666315) has the molecular formula C32H33N5O5 and a molecular weight of 567.65 g/mol. Its IUPAC name is 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide
PubChem CID16666315
Molecular FormulaC32H33N5O5
Molecular Weight567.65 g/mol
Exact Mass567.25
IUPAC Name5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide
SMILESCOc1c(NC(=O)c2cnc(C)c(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2)cc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C32H33N5O5/c1-19-25(31(40)36-22-9-11-24(12-10-22)42-18-23-8-6-7-13-34-23)14-20(17-35-19)30(39)37-27-16-21(32(2,3)4)15-26(29(33)38)28(27)41-5/h6-17H,18H2,1-5H3,(H2,33,38)(H,36,40)(H,37,39)
InChIKeyRQQLDPLWFZFAEX-UHFFFAOYSA-N
XLogP5.27
TPSA145.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide (CID 16666315) is 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide is COc1c(NC(=O)c2cnc(C)c(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2)cc(C(C)(C)C)cc1C(N)=O.
What is the InChIKey of 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is RQQLDPLWFZFAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O5/c1-19-25(31(40)36-22-9-11-24(12-10-22)42-18-23-8-6-7-13-34-23)14-20(17-35-19)30(39)37-27-16-21(32(2,3)4)15-26(29(33)38)28(27)41-5/h6-17H,18H2,1-5H3,(H2,33,38)(H,36,40)(H,37,39).
What are the key properties of 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide?
5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 567.65 g/mol, XLogP of 5.27, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-tert-butyl-3-carbamoyl-2-methoxyphenyl)-2-methyl-3-N-[4-(pyridin-2-ylmethoxy)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 16666315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).