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

C26H30N4O2 — CID 86296890

IUPAC2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C26H30N4O2/c1-18-5-6-21(29-25(31)20-8-9-27-23(15-20)26(2,3)4)17-22(18)19-7-10-28-24(16-19)30-11-13-32-14-12-30/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)
InChIKeyINMAGDSAPQEPHY-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.84
Rot. Bonds4

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

2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide (PubChem CID 86296890) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
PubChem CID86296890
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C26H30N4O2/c1-18-5-6-21(29-25(31)20-8-9-27-23(15-20)26(2,3)4)17-22(18)19-7-10-28-24(16-19)30-11-13-32-14-12-30/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)
InChIKeyINMAGDSAPQEPHY-UHFFFAOYSA-N
XLogP4.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide (CID 86296890) is 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide?
The InChIKey is INMAGDSAPQEPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-5-6-21(29-25(31)20-8-9-27-23(15-20)26(2,3)4)17-22(18)19-7-10-28-24(16-19)30-11-13-32-14-12-30/h5-10,15-17H,11-14H2,1-4H3,(H,29,31).
What are the key properties of 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide?
2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86296890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).