6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide

C24H26N4O2 — CID 163795601

IUPAC6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESC=Cc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5ccncc5)(C4)C2)C3)n1
InChIInChI=1S/C24H26N4O2/c1-2-19-4-3-5-20(26-19)22(30)28-24-13-16-10-17(14-24)12-23(11-16,15-24)27-21(29)18-6-8-25-9-7-18/h2-9,16-17H,1,10-15H2,(H,27,29)(H,28,30)
InChIKeyNAMNQKQVHQHXJN-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.37
Rot. Bonds5

About 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide

6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide (PubChem CID 163795601) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
PubChem CID163795601
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESC=Cc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5ccncc5)(C4)C2)C3)n1
InChIInChI=1S/C24H26N4O2/c1-2-19-4-3-5-20(26-19)22(30)28-24-13-16-10-17(14-24)12-23(11-16,15-24)27-21(29)18-6-8-25-9-7-18/h2-9,16-17H,1,10-15H2,(H,27,29)(H,28,30)
InChIKeyNAMNQKQVHQHXJN-UHFFFAOYSA-N
XLogP3.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
6-(4-methylpiperazin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358484
6-(4-hydroxypiperidin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358655
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
CID 170205515
N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 59161064
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358543
6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 59161109
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
CID 123657933
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
The IUPAC name of 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide (CID 163795601) is 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
The canonical SMILES for 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide is C=Cc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5ccncc5)(C4)C2)C3)n1.
What is the InChIKey of 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
The InChIKey is NAMNQKQVHQHXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-19-4-3-5-20(26-19)22(30)28-24-13-16-10-17(14-24)12-23(11-16,15-24)27-21(29)18-6-8-25-9-7-18/h2-9,16-17H,1,10-15H2,(H,27,29)(H,28,30).
What are the key properties of 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide is sourced from PubChem (CID 163795601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).