6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide

C24H28N4O2 — CID 44602524

IUPAC6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C)n2)(C4)C3)n1
InChIInChI=1S/C24H28N4O2/c1-15-5-3-7-19(25-15)21(29)27-23-10-17-9-18(11-23)13-24(12-17,14-23)28-22(30)20-8-4-6-16(2)26-20/h3-8,17-18H,9-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyMXQJERPCZSGQNE-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.34
Rot. Bonds4

About 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide

6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide (PubChem CID 44602524) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide
PubChem CID44602524
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C)n2)(C4)C3)n1
InChIInChI=1S/C24H28N4O2/c1-15-5-3-7-19(25-15)21(29)27-23-10-17-9-18(11-23)13-24(12-17,14-23)28-22(30)20-8-4-6-16(2)26-20/h3-8,17-18H,9-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyMXQJERPCZSGQNE-UHFFFAOYSA-N
XLogP3.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide (CID 44602524) is 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C)n2)(C4)C3)n1.
What is the InChIKey of 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide?
The InChIKey is MXQJERPCZSGQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15-5-3-7-19(25-15)21(29)27-23-10-17-9-18(11-23)13-24(12-17,14-23)28-22(30)20-8-4-6-16(2)26-20/h3-8,17-18H,9-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide?
6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide is sourced from PubChem (CID 44602524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).