N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide

C22H22F3N5O2 — CID 59161064

IUPACN-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(NC(=O)c1cncc(C(F)(F)F)n1)(C3)C2)c1ccccn1
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)17-11-26-10-16(28-17)19(32)30-21-8-13-5-14(9-21)7-20(6-13,12-21)29-18(31)15-3-1-2-4-27-15/h1-4,10-11,13-14H,5-9,12H2,(H,29,31)(H,30,32)
InChIKeyOIIFUWMKKMNLBW-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.14
Rot. Bonds4

About N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide

N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 59161064) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID59161064
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC NameN-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
SMILESO=C(NC12CC3CC(C1)CC(NC(=O)c1cncc(C(F)(F)F)n1)(C3)C2)c1ccccn1
InChIInChI=1S/C22H22F3N5O2/c23-22(24,25)17-11-26-10-16(28-17)19(32)30-21-8-13-5-14(9-21)7-20(6-13,12-21)29-18(31)15-3-1-2-4-27-15/h1-4,10-11,13-14H,5-9,12H2,(H,29,31)(H,30,32)
InChIKeyOIIFUWMKKMNLBW-UHFFFAOYSA-N
XLogP3.14
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-1-adamantyl)-6-methylpyrazine-2-carboxamide;4-(trifluoromethyl)pyrimidine-2-carboxylic acid
CID 162621516
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
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
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide
CID 58358620
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 163795601
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide
CID 53327009

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide (CID 59161064) is N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide is O=C(NC12CC3CC(C1)CC(NC(=O)c1cncc(C(F)(F)F)n1)(C3)C2)c1ccccn1.
What is the InChIKey of N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is OIIFUWMKKMNLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c23-22(24,25)17-11-26-10-16(28-17)19(32)30-21-8-13-5-14(9-21)7-20(6-13,12-21)29-18(31)15-3-1-2-4-27-15/h1-4,10-11,13-14H,5-9,12H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide?
N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59161064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).