N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide

C24H29N5O3 — CID 58358620

IUPACN-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide
SMILESCCOc1cc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cncc(C)n2)(C4)C3)ccn1
InChIInChI=1S/C24H29N5O3/c1-3-32-20-7-18(4-5-26-20)21(30)28-23-8-16-6-17(9-23)11-24(10-16,14-23)29-22(31)19-13-25-12-15(2)27-19/h4-5,7,12-13,16-17H,3,6,8-11,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyUCYKWXQTVCPBGO-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.83
Rot. Bonds6

About N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide

N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide (PubChem CID 58358620) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide
PubChem CID58358620
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide
SMILESCCOc1cc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cncc(C)n2)(C4)C3)ccn1
InChIInChI=1S/C24H29N5O3/c1-3-32-20-7-18(4-5-26-20)21(30)28-23-8-16-6-17(9-23)11-24(10-16,14-23)29-22(31)19-13-25-12-15(2)27-19/h4-5,7,12-13,16-17H,3,6,8-11,14H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyUCYKWXQTVCPBGO-UHFFFAOYSA-N
XLogP2.83
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyrazine-2-carboxamide
CID 53327009
N-(3-amino-1-adamantyl)-6-methylpyrazine-2-carboxamide;4-(trifluoromethyl)pyrimidine-2-carboxylic acid
CID 162621516
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 57407036
6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70498117
6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate
CID 67981106
N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 59161064
N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide (CID 58358620) is N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide is CCOc1cc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cncc(C)n2)(C4)C3)ccn1.
What is the InChIKey of N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide?
The InChIKey is UCYKWXQTVCPBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-32-20-7-18(4-5-26-20)21(30)28-23-8-16-6-17(9-23)11-24(10-16,14-23)29-22(31)19-13-25-12-15(2)27-19/h4-5,7,12-13,16-17H,3,6,8-11,14H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide?
N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethoxypyridine-4-carbonyl)amino]-1-adamantyl]-6-methylpyrazine-2-carboxamide is sourced from PubChem (CID 58358620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).