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

C25H29N5O2 — CID 86297887

IUPAC2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H29N5O2/c1-17-21(18-5-8-27-23(14-18)30-9-11-32-12-10-30)15-20(16-28-17)29-24(31)19-6-7-26-22(13-19)25(2,3)4/h5-8,13-16H,9-12H2,1-4H3,(H,29,31)
InChIKeyCCLMBXZFMXSFCV-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.23
Rot. Bonds4

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

2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 86297887) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID86297887
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H29N5O2/c1-17-21(18-5-8-27-23(14-18)30-9-11-32-12-10-30)15-20(16-28-17)29-24(31)19-6-7-26-22(13-19)25(2,3)4/h5-8,13-16H,9-12H2,1-4H3,(H,29,31)
InChIKeyCCLMBXZFMXSFCV-UHFFFAOYSA-N
XLogP4.23
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.23
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-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide (CID 86297887) is 2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is CCLMBXZFMXSFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-21(18-5-8-27-23(14-18)30-9-11-32-12-10-30)15-20(16-28-17)29-24(31)19-6-7-26-22(13-19)25(2,3)4/h5-8,13-16H,9-12H2,1-4H3,(H,29,31).
What are the key properties of 2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
2-tert-butyl-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.23, 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-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 86297887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).