2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide

C27H32N4O3 — CID 90408834

IUPAC2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C27H32N4O3/c1-18-6-7-21(29-25(32)19-8-9-28-24(15-19)27(2,3)4)16-22(18)20-14-23(26(33)30(5)17-20)31-10-12-34-13-11-31/h6-9,14-17H,10-13H2,1-5H3,(H,29,32)
InChIKeyQKRZIJKGUSHRML-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.14
Rot. Bonds4

About 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide

2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide (PubChem CID 90408834) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
PubChem CID90408834
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
InChIInChI=1S/C27H32N4O3/c1-18-6-7-21(29-25(32)19-8-9-28-24(15-19)27(2,3)4)16-22(18)20-14-23(26(33)30(5)17-20)31-10-12-34-13-11-31/h6-9,14-17H,10-13H2,1-5H3,(H,29,32)
InChIKeyQKRZIJKGUSHRML-UHFFFAOYSA-N
XLogP4.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide (CID 90408834) is 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.
What is the InChIKey of 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The InChIKey is QKRZIJKGUSHRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-18-6-7-21(29-25(32)19-8-9-28-24(15-19)27(2,3)4)16-22(18)20-14-23(26(33)30(5)17-20)31-10-12-34-13-11-31/h6-9,14-17H,10-13H2,1-5H3,(H,29,32).
What are the key properties of 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90408834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).