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

C25H26N6O2 — CID 86297687

IUPAC2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H26N6O2/c1-17-21(18-4-7-28-23(13-18)31-8-10-33-11-9-31)14-20(15-29-17)30-24(32)19-5-6-27-22(12-19)25(2,3)16-26/h4-7,12-15H,8-11H2,1-3H3,(H,30,32)
InChIKeyCFSCYQHLBXZELG-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.74
Rot. Bonds5

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

2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 86297687) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID86297687
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C25H26N6O2/c1-17-21(18-4-7-28-23(13-18)31-8-10-33-11-9-31)14-20(15-29-17)30-24(32)19-5-6-27-22(12-19)25(2,3)16-26/h4-7,12-15H,8-11H2,1-3H3,(H,30,32)
InChIKeyCFSCYQHLBXZELG-UHFFFAOYSA-N
XLogP3.74
TPSA104.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide (CID 86297687) is 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is CFSCYQHLBXZELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-21(18-4-7-28-23(13-18)31-8-10-33-11-9-31)14-20(15-29-17)30-24(32)19-5-6-27-22(12-19)25(2,3)16-26/h4-7,12-15H,8-11H2,1-3H3,(H,30,32).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 86297687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).