N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide

C18H25N3O — CID 7929638

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C18H25N3O/c1-11-9-20-16(10-19-11)17(22)21-12(2)18-6-13-3-14(7-18)5-15(4-13)8-18/h9-10,12-15H,3-8H2,1-2H3,(H,21,22)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyYSFGFVQHYRCDGX-IHWZXDPASA-N
MW299.42 g/mol
LogP3.12
Rot. Bonds3

About N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide

N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide (PubChem CID 7929638) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
PubChem CID7929638
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cn1
InChIInChI=1S/C18H25N3O/c1-11-9-20-16(10-19-11)17(22)21-12(2)18-6-13-3-14(7-18)5-15(4-13)8-18/h9-10,12-15H,3-8H2,1-2H3,(H,21,22)/t12-,13?,14?,15?,18?/m0/s1
InChIKeyYSFGFVQHYRCDGX-IHWZXDPASA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
CID 75361389
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 75363372
N-[1-(1-adamantyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75363348
N-[(1R)-1-(1-adamantyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7695401
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
N-[(1R)-1-(1-adamantyl)ethyl]-4-nitrobenzamide
CID 7331710
methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
CID 43407775
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide (CID 7929638) is N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cn1.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is YSFGFVQHYRCDGX-IHWZXDPASA-N. The full InChI is InChI=1S/C18H25N3O/c1-11-9-20-16(10-19-11)17(22)21-12(2)18-6-13-3-14(7-18)5-15(4-13)8-18/h9-10,12-15H,3-8H2,1-2H3,(H,21,22)/t12-,13?,14?,15?,18?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide?
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 7929638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).