6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

C24H30N4O2 — CID 130286487

IUPAC6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCC1=NC(C(=O)C/C=C/[C@]23CCC[C@](NC(=O)c4cccc(C)n4)(CC2)C3)=CNC1
InChIInChI=1S/C24H30N4O2/c1-17-6-3-7-19(26-17)22(30)28-24-11-5-10-23(16-24,12-13-24)9-4-8-21(29)20-15-25-14-18(2)27-20/h3-4,6-7,9,15,25H,5,8,10-14,16H2,1-2H3,(H,28,30)/b9-4+/t23-,24-/m0/s1
InChIKeySTTUJQMUZSFSHT-LYHPIRELSA-N
MW406.53 g/mol
LogP3.63
Rot. Bonds6

About 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (PubChem CID 130286487) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
PubChem CID130286487
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCC1=NC(C(=O)C/C=C/[C@]23CCC[C@](NC(=O)c4cccc(C)n4)(CC2)C3)=CNC1
InChIInChI=1S/C24H30N4O2/c1-17-6-3-7-19(26-17)22(30)28-24-11-5-10-23(16-24,12-13-24)9-4-8-21(29)20-15-25-14-18(2)27-20/h3-4,6-7,9,15,25H,5,8,10-14,16H2,1-2H3,(H,28,30)/b9-4+/t23-,24-/m0/s1
InChIKeySTTUJQMUZSFSHT-LYHPIRELSA-N
XLogP3.63
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-N-[5-[(5-methylpyridine-3-carbonyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70498464
6-methyl-N-[5-[2-(6-methyl-2-pyridinyl)ethynyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 71535582
6-methyl-N-[5-(6-methyl-2H-pyrazin-1-yl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 141426146
6-methyl-N-[(1R,5S)-5-(2-pyridin-2-ylethynyl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 71535585
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
CID 60727656
N-[(5R)-5-[(6-methyl-2-pyridinyl)carbamoyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 130286496
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67341856
2-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrimidine-4-carboxamide
CID 57406485
6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 57407036

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (CID 130286487) is 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is CC1=NC(C(=O)C/C=C/[C@]23CCC[C@](NC(=O)c4cccc(C)n4)(CC2)C3)=CNC1.
What is the InChIKey of 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The InChIKey is STTUJQMUZSFSHT-LYHPIRELSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17-6-3-7-19(26-17)22(30)28-24-11-5-10-23(16-24,12-13-24)9-4-8-21(29)20-15-25-14-18(2)27-20/h3-4,6-7,9,15,25H,5,8,10-14,16H2,1-2H3,(H,28,30)/b9-4+/t23-,24-/m0/s1.
What are the key properties of 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S,5R)-5-[(E)-4-(3-methyl-1,2-dihydropyrazin-5-yl)-4-oxobut-1-enyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is sourced from PubChem (CID 130286487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).