2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide

C16H25N3O2 — CID 101053138

IUPAC2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)cnc1C(=O)NC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-10-8-11(13(20)18-15(2,3)4)9-17-12(10)14(21)19-16(5,6)7/h8-9H,1-7H3,(H,18,20)(H,19,21)
InChIKeyMFZOZGONHQUQSW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.45
Rot. Bonds2

About 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide

2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide (PubChem CID 101053138) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide
PubChem CID101053138
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)cnc1C(=O)NC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-10-8-11(13(20)18-15(2,3)4)9-17-12(10)14(21)19-16(5,6)7/h8-9H,1-7H3,(H,18,20)(H,19,21)
InChIKeyMFZOZGONHQUQSW-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide (CID 101053138) is 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide is Cc1cc(C(=O)NC(C)(C)C)cnc1C(=O)NC(C)(C)C.
What is the InChIKey of 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide?
The InChIKey is MFZOZGONHQUQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-8-11(13(20)18-15(2,3)4)9-17-12(10)14(21)19-16(5,6)7/h8-9H,1-7H3,(H,18,20)(H,19,21).
What are the key properties of 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide?
2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-ditert-butyl-3-methylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 101053138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).